vasputils 0.0.0 → 0.0.1
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- data/Gemfile +1 -0
- data/Rakefile +1 -1
- data/bin/lsvaspdir +4 -1
- data/lib/vasputils/poscar.rb +0 -0
- data/lib/vasputils/vaspdir.rb +257 -253
- data/test/test_vaspdir.rb +235 -235
- data/vasputils.gemspec +7 -110
- metadata +30 -170
- data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/CONTCAR +0 -17
- data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/INCAR +0 -27
- data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/KPOINTS +0 -6
- data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/OUTCAR +0 -1436
- data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POSCAR +0 -12
- data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POTCAR +0 -3151
- data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/lock +0 -0
- data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/CONTCAR +0 -17
- data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/INCAR +0 -28
- data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/KPOINTS +0 -6
- data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/OUTCAR +0 -1436
- data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POSCAR +0 -12
- data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POTCAR +0 -3151
- data/test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/lock +0 -0
- data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/CONTCAR +0 -17
- data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/INCAR +0 -28
- data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/KPOINTS +0 -6
- data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/OUTCAR +0 -1436
- data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POSCAR +0 -12
- data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POTCAR +0 -3151
- data/test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/lock +0 -0
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/CONTCAR +0 -17
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/INCAR +0 -28
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/KPOINTS +0 -6
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/OUTCAR +0 -1436
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POSCAR +0 -12
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POTCAR +0 -3151
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/lock +0 -0
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/CONTCAR +0 -17
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/INCAR +0 -28
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/KPOINTS +0 -6
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/OUTCAR +0 -2602
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POSCAR +0 -12
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POTCAR +0 -3151
- data/test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/lock +0 -0
- data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/CONTCAR +0 -17
- data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/INCAR +0 -28
- data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/KPOINTS +0 -6
- data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/OUTCAR +0 -1436
- data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POSCAR +0 -12
- data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POTCAR +0 -3151
- data/test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/lock +0 -0
- data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/CONTCAR +0 -17
- data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/INCAR +0 -28
- data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/KPOINTS +0 -6
- data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/OUTCAR +0 -1436
- data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POSCAR +0 -12
- data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POTCAR +0 -3151
- data/test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/lock +0 -0
- data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/CONTCAR +0 -17
- data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/INCAR +0 -28
- data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/KPOINTS +0 -6
- data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/OUTCAR +0 -2025
- data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POSCAR +0 -12
- data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POTCAR +0 -3151
- data/test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/lock +0 -0
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/CONTCAR +0 -0
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/INCAR +0 -28
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/KPOINTS +0 -6
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/OUTCAR +0 -619
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POSCAR +0 -12
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POTCAR +0 -3151
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/lock +0 -0
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/CONTCAR +0 -17
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/INCAR +0 -28
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/KPOINTS +0 -6
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/OUTCAR +0 -2602
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POSCAR +0 -12
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POTCAR +0 -3151
- data/test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/lock +0 -0
- data/test/vaspdir/PI/INCAR +0 -28
- data/test/vaspdir/PI/KPOINTS +0 -5
- data/test/vaspdir/PI/PI12345 +0 -0
- data/test/vaspdir/PI/POSCAR +0 -57
- data/test/vaspdir/PI/POTCAR +0 -698
- data/test/vaspdir/lock/INCAR +0 -28
- data/test/vaspdir/lock/KPOINTS +0 -5
- data/test/vaspdir/lock/POSCAR +0 -57
- data/test/vaspdir/lock/POTCAR +0 -698
- data/test/vaspdir/lock/lock +0 -0
- data/test/vaspdir/lock-PI/INCAR +0 -28
- data/test/vaspdir/lock-PI/KPOINTS +0 -5
- data/test/vaspdir/lock-PI/PI12345 +0 -0
- data/test/vaspdir/lock-PI/POSCAR +0 -57
- data/test/vaspdir/lock-PI/POTCAR +0 -698
- data/test/vaspdir/lock-PI/lock +0 -0
- data/test/vaspdir/next-try00/CONTCAR +0 -17
- data/test/vaspdir/next-try00/INCAR +0 -28
- data/test/vaspdir/next-try00/KPOINTS +0 -6
- data/test/vaspdir/next-try00/OUTCAR +0 -2025
- data/test/vaspdir/next-try00/POSCAR +0 -12
- data/test/vaspdir/next-try00/POTCAR +0 -3151
- data/test/vaspdir/next-try00/lock +0 -0
- data/test/vaspdir/not-yet-ISIF2/INCAR +0 -28
- data/test/vaspdir/not-yet-ISIF2/KPOINTS +0 -5
- data/test/vaspdir/not-yet-ISIF2/PI17489 +0 -2
- data/test/vaspdir/not-yet-ISIF2/PI17736 +0 -2
- data/test/vaspdir/not-yet-ISIF2/PI1858 +0 -2
- data/test/vaspdir/not-yet-ISIF2/PI1866 +0 -2
- data/test/vaspdir/not-yet-ISIF2/PI2059 +0 -2
- data/test/vaspdir/not-yet-ISIF2/POSCAR +0 -57
- data/test/vaspdir/not-yet-ISIF2/POTCAR +0 -698
- data/test/vaspdir/not-yet-ISIF3/INCAR +0 -28
- data/test/vaspdir/not-yet-ISIF3/KPOINTS +0 -5
- data/test/vaspdir/not-yet-ISIF3/POSCAR +0 -57
- data/test/vaspdir/not-yet-ISIF3/POTCAR +0 -698
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@@ -1,3151 +0,0 @@
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1
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PAW_GGA Li_sv 23Jan2001
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2
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3.00000000000000000
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3
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parameters from PSCTR are:
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4
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VRHFIN =Li: 1s2s2p
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5
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LEXCH = 91
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6
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EATOM = 203.0979 eV, 14.9273 Ry
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7
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-
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8
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TITEL = PAW_GGA Li_sv 23Jan2001
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9
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LULTRA = F use ultrasoft PP ?
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10
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IUNSCR = 0 unscreen: 0-lin 1-nonlin 2-no
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11
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RPACOR = .000 partial core radius
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12
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POMASS = 7.010; ZVAL = 3.000 mass and valenz
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13
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RCORE = 2.050 outmost cutoff radius
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14
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RWIGS = 2.050; RWIGS = 1.085 wigner-seitz radius (au A)
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15
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ENMAX = 271.798; ENMIN = 203.849 eV
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16
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ICORE = 2 local potential
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17
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LCOR = T correct aug charges
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18
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LPAW = T paw PP
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19
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EAUG = 428.394
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20
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RMAX = 2.797 core radius for proj-oper
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21
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RAUG = 1.300 factor for augmentation sphere
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22
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RDEP = 2.094 radius for radial grids
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23
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RDEPT = 1.550 core radius for aug-charge
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24
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QCUT = -4.470; QGAM = 8.939 optimization parameters
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26
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Description
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l E TYP RCUT TYP RCUT
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28
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0 .000 23 1.550
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29
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0 .000 23 2.050
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30
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0 .000 23 1.550
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31
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0 .000 23 2.050
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32
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1 -.200 23 2.050
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33
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1 1.500 23 2.050
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34
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2 .000 7 1.550
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35
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Error from kinetic energy argument (eV)
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36
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NDATA = 100
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37
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STEP = 20.000 1.050
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38
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24.1 23.7 23.5 23.1 22.8 22.3 21.8 21.6
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39
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21.1 20.5 20.2 19.7 19.1 18.5 17.9 17.3
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40
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16.7 16.0 15.4 14.5 13.9 13.3 12.4 11.8
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41
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11.3 10.4 9.61 9.09 8.33 7.62 6.94 6.29
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42
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5.69 5.13 4.60 4.12 3.52 3.12 2.64 2.32
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43
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1.93 1.60 1.31 1.07 .859 .685 .540 .395
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44
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.304 .214 .148 .108 .713E-01 .459E-01 .265E-01 .166E-01
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45
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.108E-01 .716E-02 .568E-02 .525E-02 .520E-02 .516E-02 .497E-02 .451E-02
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46
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.395E-02 .321E-02 .246E-02 .179E-02 .119E-02 .818E-03 .551E-03 .415E-03
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47
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.362E-03 .351E-03 .349E-03 .338E-03 .307E-03 .259E-03 .199E-03 .148E-03
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48
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.104E-03 .764E-04 .627E-04 .582E-04 .578E-04 .565E-04 .517E-04 .431E-04
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49
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.334E-04 .252E-04 .197E-04 .175E-04 .171E-04 .169E-04 .155E-04 .129E-04
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50
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.991E-05 .785E-05 .686E-05 .675E-05
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51
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END of PSCTR-controll parameters
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52
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local part
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53
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90.7068474517883203
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54
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.31001001E+02 .30995904E+02 .30976285E+02 .30943634E+02 .30898022E+02
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55
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.30839547E+02 .30768335E+02 .30684538E+02 .30588336E+02 .30479933E+02
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56
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.30359558E+02 .30227465E+02 .30083931E+02 .29929253E+02 .29763751E+02
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57
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.29587764E+02 .29401650E+02 .29205785E+02 .29000560E+02 .28786382E+02
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58
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.28563672E+02 .28332863E+02 .28094398E+02 .27848731E+02 .27596325E+02
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59
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.27337646E+02 .27073169E+02 .26803371E+02 .26528732E+02 .26249731E+02
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60
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.25966849E+02 .25680561E+02 .25391341E+02 .25099655E+02 .24805964E+02
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61
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.24510721E+02 .24214367E+02 .23917335E+02 .23620043E+02 .23322897E+02
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62
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.23026289E+02 .22730595E+02 .22436174E+02 .22143368E+02 .21852501E+02
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63
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.21563878E+02 .21277785E+02 .20994488E+02 .20714230E+02 .20437238E+02
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64
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.20163712E+02 .19893835E+02 .19627765E+02 .19365641E+02 .19107578E+02
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65
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.18853671E+02 .18603993E+02 .18358595E+02 .18117509E+02 .17880744E+02
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66
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.17648293E+02 .17420127E+02 .17196198E+02 .16976443E+02 .16760779E+02
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67
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.16549110E+02 .16341323E+02 .16137291E+02 .15936874E+02 .15739920E+02
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68
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.15546266E+02 .15355739E+02 .15168159E+02 .14983335E+02 .14801072E+02
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69
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.14621170E+02 .14443425E+02 .14267629E+02 .14093573E+02 .13921049E+02
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70
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.13749849E+02 .13579765E+02 .13410596E+02 .13242143E+02 .13074212E+02
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71
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.12906617E+02 .12739178E+02 .12571724E+02 .12404091E+02 .12236130E+02
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72
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.12067697E+02 .11898663E+02 .11728910E+02 .11558334E+02 .11386841E+02
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73
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.11214353E+02 .11040806E+02 .10866150E+02 .10690349E+02 .10513382E+02
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74
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.10335243E+02 .10155940E+02 .99754967E+01 .97939499E+01 .96113516E+01
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75
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.94277679E+01 .92432782E+01 .90579752E+01 .88719644E+01 .86853635E+01
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76
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.84983016E+01 .83109191E+01 .81233664E+01 .79358034E+01 .77483990E+01
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77
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.75613296E+01 .73747790E+01 .71889371E+01 .70039987E+01 .68201633E+01
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78
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.66376337E+01 .64566148E+01 .62773132E+01 .60999359E+01 .59246891E+01
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79
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.57517779E+01 .55814046E+01 .54137683E+01 .52490635E+01 .50874799E+01
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80
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.49292007E+01 .47744024E+01 .46232538E+01 .44759151E+01 .43325373E+01
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81
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.41932617E+01 .40582189E+01 .39275285E+01 .38012986E+01 .36796251E+01
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82
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.35625915E+01 .34502685E+01 .33427136E+01 .32399711E+01 .31420717E+01
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83
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.30490324E+01 .29608566E+01 .28775343E+01 .27990414E+01 .27253409E+01
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84
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.26563823E+01 .25921022E+01 .25324244E+01 .24772605E+01 .24265103E+01
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85
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.23800622E+01 .23377933E+01 .22995709E+01 .22652522E+01 .22346854E+01
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86
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.22077102E+01 .21841585E+01 .21638554E+01 .21466195E+01 .21322642E+01
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.21205979E+01 .21114254E+01 .21045483E+01 .20997660E+01 .20968765E+01
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.20956773E+01 .20959659E+01 .20975411E+01 .21002034E+01 .21037559E+01
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89
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.21080050E+01 .21127615E+01 .21178405E+01 .21230630E+01 .21282559E+01
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90
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.21332529E+01 .21378950E+01 .21420310E+01 .21455180E+01 .21482218E+01
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91
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.21500176E+01 .21507899E+01 .21504331E+01 .21488517E+01 .21459605E+01
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.21416847E+01 .21359601E+01 .21287332E+01 .21199610E+01 .21096111E+01
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.20976617E+01 .20841013E+01 .20689287E+01 .20521526E+01 .20337914E+01
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.20138730E+01 .19924342E+01 .19695206E+01 .19451861E+01 .19194924E+01
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.18925084E+01 .18643101E+01 .18349795E+01 .18046046E+01 .17732786E+01
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.17410991E+01 .17081679E+01 .16745901E+01 .16404737E+01 .16059288E+01
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.15710671E+01 .15360013E+01 .15008443E+01 .14657091E+01 .14307073E+01
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.13959497E+01 .13615448E+01 .13275987E+01 .12942144E+01 .12614916E+01
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.12295257E+01 .11984081E+01 .11682250E+01 .11390576E+01 .11109816E+01
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.10840666E+01 .10583763E+01 .10339678E+01 .10108919E+01 .98919221E+00
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|
|
114
|
-
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|
|
115
|
-
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|
|
116
|
-
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|
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117
|
-
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|
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118
|
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|
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119
|
-
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|
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120
|
-
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|
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121
|
-
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|
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122
|
-
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|
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123
|
-
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|
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124
|
-
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|
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125
|
-
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|
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126
|
-
.56032960E+00 .56401183E+00 .56731425E+00 .57021012E+00 .57267529E+00
|
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127
|
-
.57468831E+00 .57623053E+00 .57728609E+00 .57784205E+00 .57788835E+00
|
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128
|
-
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|
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129
|
-
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|
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130
|
-
.54476625E+00 .53894664E+00 .53273793E+00 .52616577E+00 .51925750E+00
|
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131
|
-
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|
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132
|
-
.47245026E+00 .46406032E+00 .45559280E+00 .44708225E+00 .43856309E+00
|
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133
|
-
.43006942E+00 .42163488E+00 .41329243E+00 .40507421E+00 .39701138E+00
|
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134
|
-
.38913395E+00 .38147064E+00 .37404876E+00 .36689404E+00 .36003056E+00
|
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135
|
-
.35348061E+00 .34726459E+00 .34140095E+00 .33590609E+00 .33079431E+00
|
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136
|
-
.32607775E+00 .32176636E+00 .31786785E+00 .31438770E+00 .31132916E+00
|
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137
|
-
.30869323E+00 .30647869E+00 .30468216E+00 .30329812E+00 .30231895E+00
|
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138
|
-
.30173502E+00 .30153476E+00 .30170475E+00 .30222980E+00 .30309304E+00
|
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139
|
-
.30427608E+00 .30575908E+00 .30752087E+00 .30953913E+00 .31179046E+00
|
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140
|
-
.31425057E+00 .31689439E+00 .31969622E+00 .32262988E+00 .32566885E+00
|
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141
|
-
.32878644E+00 .33195588E+00 .33515055E+00 .33834403E+00 .34151031E+00
|
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142
|
-
.34462389E+00 .34765993E+00 .35059435E+00 .35340400E+00 .35606671E+00
|
|
143
|
-
.35856146E+00 .36086843E+00 .36296914E+00 .36484648E+00 .36648485E+00
|
|
144
|
-
.36787016E+00 .36898995E+00 .36983341E+00 .37039139E+00 .37065651E+00
|
|
145
|
-
.37062308E+00 .37028721E+00 .36964674E+00 .36870124E+00 .36745205E+00
|
|
146
|
-
.36590217E+00 .36405628E+00 .36192068E+00 .35950323E+00 .35681331E+00
|
|
147
|
-
.35386172E+00 .35066063E+00 .34722348E+00 .34356491E+00 .33970065E+00
|
|
148
|
-
.33564743E+00 .33142286E+00 .32704536E+00 .32253402E+00 .31790850E+00
|
|
149
|
-
.31318888E+00 .30839562E+00 .30354936E+00 .29867087E+00 .29378089E+00
|
|
150
|
-
.28890005E+00 .28404872E+00 .27924692E+00 .27451424E+00 .26986968E+00
|
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151
|
-
.26533160E+00 .26091760E+00 .25664444E+00 .25252796E+00 .24858299E+00
|
|
152
|
-
.24482328E+00 .24126147E+00 .23790896E+00 .23477594E+00 .23187130E+00
|
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153
|
-
.22920260E+00 .22677606E+00 .22459650E+00 .22266738E+00 .22099077E+00
|
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154
|
-
.21956734E+00 .21839639E+00 .21747587E+00 .21680237E+00 .21637122E+00
|
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155
|
-
.21617647E+00 .21621094E+00 .21646633E+00 .21693318E+00 .21760105E+00
|
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156
|
-
.21845848E+00 .21949314E+00 .22069187E+00 .22204077E+00 .22352529E+00
|
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157
|
-
.22513030E+00 .22684020E+00 .22863901E+00 .23051044E+00 .23243801E+00
|
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158
|
-
.23440513E+00 .23639518E+00 .23839163E+00 .24037812E+00 .24233854E+00
|
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159
|
-
.24425712E+00 .24611851E+00 .24790790E+00 .24961101E+00 .25121427E+00
|
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160
|
-
.25270480E+00 .25407052E+00 .25530021E+00 .25638353E+00 .25731110E+00
|
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161
|
-
.25807453E+00 .25866647E+00 .25908061E+00 .25931172E+00 .25935570E+00
|
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162
|
-
.25920954E+00 .25887133E+00 .25834032E+00 .25761683E+00 .25670231E+00
|
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163
|
-
.25559925E+00 .25431122E+00 .25284280E+00 .25119956E+00 .24938802E+00
|
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164
|
-
.24741558E+00 .24529051E+00 .24302186E+00 .24061942E+00 .23809366E+00
|
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165
|
-
.23545564E+00 .23271698E+00 .22988977E+00 .22698650E+00 .22401996E+00
|
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166
|
-
.22100322E+00 .21794952E+00 .21487219E+00 .21178459E+00 .20870003E+00
|
|
167
|
-
.20563169E+00 .20259256E+00 .19959537E+00 .19665249E+00 .19377590E+00
|
|
168
|
-
.19097714E+00 .18826717E+00 .18565642E+00 .18315467E+00 .18077101E+00
|
|
169
|
-
.17851380E+00 .17639066E+00 .17440837E+00 .17257292E+00 .17088941E+00
|
|
170
|
-
.16936207E+00 .16799425E+00 .16678837E+00 .16574597E+00 .16486767E+00
|
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171
|
-
.16415317E+00 .16360129E+00 .16320998E+00 .16297630E+00 .16289651E+00
|
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172
|
-
.16296604E+00 .16317954E+00 .16353094E+00 .16401348E+00 .16461971E+00
|
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173
|
-
.16534162E+00 .16617061E+00 .16709759E+00 .16811302E+00 .16920698E+00
|
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174
|
-
.17036921E+00 .17158917E+00 .17285612E+00 .17415918E+00 .17548735E+00
|
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175
|
-
.17682965E+00 .17817511E+00 .17951285E+00 .18083217E+00 .18212257E+00
|
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176
|
-
.18337382E+00 .18457603E+00 .18571969E+00 .18679568E+00 .18779541E+00
|
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177
|
-
.18871077E+00 .18953423E+00 .19025883E+00 .19087827E+00 .19138689E+00
|
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178
|
-
.19177972E+00 .19205249E+00 .19220166E+00 .19222443E+00 .19211873E+00
|
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179
|
-
.19188325E+00 .19151744E+00 .19102149E+00 .19039632E+00 .18964359E+00
|
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180
|
-
.18876568E+00 .18776564E+00 .18664722E+00 .18541478E+00 .18407332E+00
|
|
181
|
-
.18262840E+00 .18108615E+00 .17945318E+00 .17773657E+00 .17594383E+00
|
|
182
|
-
.17408283E+00 .17216179E+00 .17018917E+00 .16817370E+00 .16612426E+00
|
|
183
|
-
.16404988E+00 .16195966E+00 .15986270E+00 .15776810E+00 .15568488E+00
|
|
184
|
-
.15362192E+00 .15158793E+00 .14959141E+00 .14764056E+00 .14574331E+00
|
|
185
|
-
.14390720E+00 .14213939E+00 .14044661E+00 .13883514E+00 .13731074E+00
|
|
186
|
-
.13587866E+00 .13454361E+00 .13330972E+00 .13218052E+00 .13115897E+00
|
|
187
|
-
.13024739E+00 .12944747E+00 .12876031E+00 .12818634E+00 .12772539E+00
|
|
188
|
-
.12737666E+00 .12713874E+00 .12700964E+00 .12698676E+00 .12706696E+00
|
|
189
|
-
.12724656E+00 .12752134E+00 .12788662E+00 .12833726E+00 .12886768E+00
|
|
190
|
-
.12947193E+00 .13014368E+00 .13087630E+00 .13166288E+00 .13249629E+00
|
|
191
|
-
.13336917E+00 .13427404E+00 .13520330E+00 .13614927E+00 .13710428E+00
|
|
192
|
-
.13806065E+00 .13901079E+00 .13994719E+00 .14086250E+00 .14174956E+00
|
|
193
|
-
.14260143E+00 .14341143E+00 .14417317E+00 .14488061E+00 .14552805E+00
|
|
194
|
-
.14611020E+00 .14662216E+00 .14705950E+00 .14741823E+00 .14769485E+00
|
|
195
|
-
.14788634E+00 .14799020E+00 .14800446E+00 .14792766E+00 .14775887E+00
|
|
196
|
-
.14749769E+00 .14714426E+00 .14669923E+00 .14616377E+00 .14553955E+00
|
|
197
|
-
.14482876E+00 .14403402E+00 .14315844E+00 .14220556E+00 .14117933E+00
|
|
198
|
-
.14008407E+00 .13892449E+00 .13770561E+00 .13643275E+00 .13511152E+00
|
|
199
|
-
.13374774E+00 .13234744E+00 .13091682E+00 .12946218E+00 .12798996E+00
|
|
200
|
-
.12650662E+00 .12501865E+00 .12353252E+00 .12205466E+00 .12059140E+00
|
|
201
|
-
.11914893E+00 .11773331E+00 .11635040E+00 .11500583E+00 .11370499E+00
|
|
202
|
-
.11245299E+00 .11125461E+00 .11011434E+00 .10903629E+00 .10802419E+00
|
|
203
|
-
.10708140E+00 .10621087E+00 .10541512E+00 .10469625E+00 .10405590E+00
|
|
204
|
-
.10349529E+00 .10301518E+00 .10261588E+00 .10229725E+00 .10205871E+00
|
|
205
|
-
.10189924E+00 .10181740E+00 .10181132E+00 .10187873E+00 .10201699E+00
|
|
206
|
-
.10222307E+00 .10249359E+00 .10282487E+00 .10321289E+00 .10365337E+00
|
|
207
|
-
.10414178E+00 .10467335E+00 .10524312E+00 .10584596E+00 .10647661E+00
|
|
208
|
-
.10712969E+00 .10779975E+00 .10848129E+00 .10916881E+00 .10985679E+00
|
|
209
|
-
.11053980E+00 .11121247E+00 .11186952E+00 .11250583E+00 .11311644E+00
|
|
210
|
-
.11369655E+00 .11424162E+00 .11474731E+00 .11520956E+00 .11562460E+00
|
|
211
|
-
.11598893E+00 .11629941E+00 .11655318E+00 .11674778E+00 .11688106E+00
|
|
212
|
-
.11695128E+00 .11695703E+00 .11689731E+00 .11677150E+00 .11657932E+00
|
|
213
|
-
.11632093E+00 .11599682E+00 .11560787E+00 .11515532E+00 .11464075E+00
|
|
214
|
-
.11406610E+00 .11343363E+00 .11274589E+00 .11200577E+00 .11121639E+00
|
|
215
|
-
.11038114E+00 .10950367E+00 .10858782E+00 .10763761E+00 .10665725E+00
|
|
216
|
-
.10565108E+00 .10462354E+00 .10357918E+00 .10252260E+00 .10145846E+00
|
|
217
|
-
.10039139E+00 .99326030E-01 .98266979E-01 .97218758E-01 .96185800E-01
|
|
218
|
-
.95172421E-01 .94182798E-01 .93220943E-01 .92290688E-01 .91395660E-01
|
|
219
|
-
.90539262E-01 .89724660E-01 .88954764E-01 .88232214E-01 .87559369E-01
|
|
220
|
-
.86938294E-01 .86370751E-01 .85858195E-01 .85401763E-01 .85002273E-01
|
|
221
|
-
.84660223E-01 .84375787E-01 .84148822E-01 .83978866E-01 .83865146E-01
|
|
222
|
-
.83806585E-01 .83801809E-01 .83849157E-01 .83946696E-01 .84092230E-01
|
|
223
|
-
.84283316E-01 .84517282E-01 .84791240E-01 .85102105E-01 .85446618E-01
|
|
224
|
-
.85821360E-01 .86222776E-01 .86647195E-01 .87090852E-01 .87549909E-01
|
|
225
|
-
.88020477E-01 .88498640E-01 .88980477E-01 .89462081E-01 .89939583E-01
|
|
226
|
-
.90409175E-01 .90867128E-01 .91309813E-01 .91733723E-01 .92135488E-01
|
|
227
|
-
.92511893E-01 .92859899E-01 .93176654E-01 .93459509E-01 .93706032E-01
|
|
228
|
-
.93914017E-01 .94081498E-01 .94206755E-01 .94288323E-01 .94325000E-01
|
|
229
|
-
.94315846E-01 .94260191E-01 .94157636E-01 .94008050E-01 .93811574E-01
|
|
230
|
-
.93568610E-01 .93279825E-01 .92946139E-01 .92568723E-01 .92148984E-01
|
|
231
|
-
.91688561E-01 .91189310E-01 .90653293E-01 .90082768E-01 .89480167E-01
|
|
232
|
-
.88848087E-01 .88189273E-01 .87506601E-01 .86803056E-01 .86081725E-01
|
|
233
|
-
.85345766E-01 .84598399E-01 .83842885E-01 .83082504E-01 .82320542E-01
|
|
234
|
-
.81560266E-01 .80804912E-01 .80057665E-01 .79321638E-01 .78599859E-01
|
|
235
|
-
.77895257E-01 .77210640E-01 .76548683E-01 .75911918E-01 .75302715E-01
|
|
236
|
-
.74723274E-01 .74175611E-01 .73661554E-01 .73182726E-01 .72740545E-01
|
|
237
|
-
.72336214E-01 .71970717E-01 .71644815E-01 .71359044E-01 .71113713E-01
|
|
238
|
-
.70908905E-01 .70744479E-01 .70620070E-01 .70535096E-01 .70488760E-01
|
|
239
|
-
.70480059E-01 .70507788E-01 .70570552E-01 .70666774E-01 .70794703E-01
|
|
240
|
-
.70952431E-01 .71137896E-01 .71348905E-01 .71583140E-01 .71838177E-01
|
|
241
|
-
.72111495E-01 .72400497E-01 .72702522E-01 .73014860E-01 .73334769E-01
|
|
242
|
-
.73659493E-01 .73986271E-01 .74312360E-01 .74635044E-01 .74951656E-01
|
|
243
|
-
.75259586E-01 .75556296E-01 .75839339E-01 .76106366E-01 .76355142E-01
|
|
244
|
-
.76583555E-01 .76789629E-01 .76971530E-01 .77127583E-01 .77256269E-01
|
|
245
|
-
.77356243E-01 .77426332E-01 .77465544E-01 .77473072E-01 .77448296E-01
|
|
246
|
-
.77390785E-01 .77300298E-01 .77176785E-01 .77020384E-01 .76831420E-01
|
|
247
|
-
.76610402E-01 .76358016E-01 .76075122E-01 .75762751E-01 .75422089E-01
|
|
248
|
-
.75054478E-01 .74661402E-01 .74244480E-01 .73805455E-01 .73346181E-01
|
|
249
|
-
.72868614E-01 .72374802E-01 .71866868E-01 .71346999E-01 .70817437E-01
|
|
250
|
-
.70280458E-01 .69738368E-01 .69193481E-01 .68648113E-01 .68104564E-01
|
|
251
|
-
.67565108E-01 .67031978E-01 .66507355E-01 .65993357E-01 .65492026E-01
|
|
252
|
-
.65005316E-01 .64535087E-01 .64083092E-01 .63650966E-01 .63240224E-01
|
|
253
|
-
.62852247E-01 .62488281E-01 .62149425E-01 .61836631E-01 .61550700E-01
|
|
254
|
-
gradient corrections used for XC
|
|
255
|
-
4
|
|
256
|
-
atomic pseudo charge-density
|
|
257
|
-
.30000000E+01 .29924426E+01 .29700993E+01 .29339260E+01 .28854205E+01
|
|
258
|
-
.28264936E+01 .27593145E+01 .26861511E+01 .26092222E+01 .25305746E+01
|
|
259
|
-
.24519957E+01 .23749602E+01 .23006113E+01 .22297695E+01 .21629608E+01
|
|
260
|
-
.21004576E+01 .20423257E+01 .19884705E+01 .19386804E+01 .18926639E+01
|
|
261
|
-
.18500805E+01 .18105645E+01 .17737436E+01 .17392517E+01 .17067388E+01
|
|
262
|
-
.16758769E+01 .16463645E+01 .16179288E+01 .15903273E+01 .15633479E+01
|
|
263
|
-
.15368084E+01 .15105555E+01 .14844632E+01 .14584304E+01 .14323788E+01
|
|
264
|
-
.14062501E+01 .13800036E+01 .13536134E+01 .13270660E+01 .13003582E+01
|
|
265
|
-
.12734948E+01 .12464873E+01 .12193524E+01 .11921105E+01 .11647849E+01
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417
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|
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418
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-
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|
|
419
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-
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|
|
420
|
-
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|
|
421
|
-
.38114689E-06 .39845061E-06 .41313717E-06 .42515006E-06 .43444951E-06
|
|
422
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-
.44101254E-06 .44483286E-06 .44592075E-06 .44430275E-06 .44002135E-06
|
|
423
|
-
.43313450E-06 .42371511E-06 .41185041E-06 .39764127E-06 .38120143E-06
|
|
424
|
-
.36265665E-06 .34214383E-06 .31981005E-06 .29581158E-06 .27031280E-06
|
|
425
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-
.24348516E-06 .21550605E-06 .18655767E-06 .15682586E-06 .12649899E-06
|
|
426
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-
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|
|
427
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-
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|
|
428
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-
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|
|
429
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-
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|
|
430
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-
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|
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431
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|
|
432
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-
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|
|
433
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-
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|
|
434
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-
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|
|
435
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-
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|
|
436
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-
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|
|
437
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-
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|
|
438
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-
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|
|
439
|
-
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|
|
440
|
-
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|
|
441
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-
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|
|
442
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-
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|
|
443
|
-
-.22416651E-07 -.41371750E-07 -.59874481E-07 -.77817902E-07 -.95099574E-07
|
|
444
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-
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|
|
445
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-
-.17985974E-06 -.19012928E-06 -.19913979E-06 -.20685010E-06 -.21322732E-06
|
|
446
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-
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|
|
447
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-
-.22271322E-06 -.21954317E-06 -.21507738E-06 -.20935636E-06 -.20242778E-06
|
|
448
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-
-.19434611E-06 -.18517220E-06 -.17497286E-06 -.16382041E-06 -.15179215E-06
|
|
449
|
-
-.13896990E-06 -.12543940E-06 -.11128980E-06 -.96613063E-07 -.81503374E-07
|
|
450
|
-
-.66056567E-07 -.50369525E-07 -.34539583E-07 -.18663936E-07 -.28390554E-08
|
|
451
|
-
.12839887E-07 .28279583E-07 .43389129E-07 .58080551E-07 .72269303E-07
|
|
452
|
-
.85874744E-07 .98820582E-07 .11103529E-06 .12245250E-06 .13301133E-06
|
|
453
|
-
.14265672E-06 .15133968E-06 .15901754E-06 .16565414E-06 .17121996E-06
|
|
454
|
-
.17569226E-06 .17905515E-06 .18129959E-06 .18242339E-06 .18243116E-06
|
|
455
|
-
.18133418E-06 .17915032E-06 .17590380E-06 .17162504E-06 .16635038E-06
|
|
456
|
-
.16012180E-06 .15298663E-06 .14499719E-06 .13621044E-06 .12668757E-06
|
|
457
|
-
18.3303420892155593 T
|
|
458
|
-
Non local Part
|
|
459
|
-
0 2 1.47996038403635732
|
|
460
|
-
-43.2782374062130799 6.64893775157602551 6.64893775157602551 0.141599425879673696
|
|
461
|
-
Reciprocal Space Part
|
|
462
|
-
.54379731E+01 .54327634E+01 .54171620E+01 .53912525E+01 .53551730E+01
|
|
463
|
-
.53091155E+01 .52533243E+01 .51880937E+01 .51137663E+01 .50307296E+01
|
|
464
|
-
.49394134E+01 .48402863E+01 .47338521E+01 .46206458E+01 .45012296E+01
|
|
465
|
-
.43761889E+01 .42461272E+01 .41116625E+01 .39734222E+01 .38320388E+01
|
|
466
|
-
.36881454E+01 .35423714E+01 .33953382E+01 .32476550E+01 .30999150E+01
|
|
467
|
-
.29526917E+01 .28065353E+01 .26619700E+01 .25194905E+01 .23795602E+01
|
|
468
|
-
.22426083E+01 .21090286E+01 .19791776E+01 .18533735E+01 .17318955E+01
|
|
469
|
-
.16149835E+01 .15028378E+01 .13956196E+01 .12934516E+01 .11964189E+01
|
|
470
|
-
.11045702E+01 .10179192E+01 .93644685E+00 .86010249E+00 .78880663E+00
|
|
471
|
-
.72245296E+00 .66091089E+00 .60402802E+00 .55163275E+00 .50353697E+00
|
|
472
|
-
.45953865E+00 .41942451E+00 .38297260E+00 .34995485E+00 .32013949E+00
|
|
473
|
-
.29329338E+00 .26918420E+00 .24758247E+00 .22826350E+00 .21100901E+00
|
|
474
|
-
.19560873E+00 .18186169E+00 .16957739E+00 .15857671E+00 .14869272E+00
|
|
475
|
-
.13977116E+00 .13167090E+00 .12426405E+00 .11743608E+00 .11108558E+00
|
|
476
|
-
.10512409E+00 .99475581E-01 .94076011E-01 .88872636E-01 .83823297E-01
|
|
477
|
-
.78895627E-01 .74066189E-01 .69319581E-01 .64647509E-01 .60047853E-01
|
|
478
|
-
.55523728E-01 .51082570E-01 .46735236E-01 .42495153E-01 .38377508E-01
|
|
479
|
-
.34398492E-01 .30574610E-01 .26922060E-01 .23456179E-01 .20190965E-01
|
|
480
|
-
.17138680E-01 .14309526E-01 .11711395E-01 .93496959E-02 .72272513E-02
|
|
481
|
-
.53442595E-02 .36983200E-02 .22845140E-02 .10955363E-02 .12187086E-03
|
|
482
|
-
Real Space Part
|
|
483
|
-
.24530261E+02 .24483684E+02 .24344477E+02 .24114211E+02 .23795468E+02
|
|
484
|
-
.23391797E+02 .22907655E+02 .22348321E+02 .21719806E+02 .21028751E+02
|
|
485
|
-
.20282309E+02 .19488029E+02 .18653729E+02 .17787375E+02 .16896952E+02
|
|
486
|
-
.15990349E+02 .15075244E+02 .14159001E+02 .13248576E+02 .12350433E+02
|
|
487
|
-
.11470479E+02 .10614009E+02 .97856647E+01 .89894100E+01 .82285217E+01
|
|
488
|
-
.75055908E+01 .68225394E+01 .61806471E+01 .55805893E+01 .50224828E+01
|
|
489
|
-
.45059389E+01 .40301213E+01 .35938080E+01 .31954539E+01 .28332543E+01
|
|
490
|
-
.25052063E+01 .22091676E+01 .19429119E+01 .17041782E+01 .14907158E+01
|
|
491
|
-
.13003220E+01 .11308747E+01 .98035728E+00 .84687816E+00 .72868380E+00
|
|
492
|
-
.62416629E+00 .53186602E+00 .45046980E+00 .37880554E+00 .31583382E+00
|
|
493
|
-
.26063740E+00 .21240925E+00 .17043970E+00 .13410348E+00 .10284702E+00
|
|
494
|
-
.76176512E-01 .53647091E-01 .34853337E-01 .19421278E-01 .70019457E-02
|
|
495
|
-
-.27335091E-02 -.10097245E-01 -.15386820E-01 -.18886134E-01 -.20865428E-01
|
|
496
|
-
-.21580554E-01 -.21271767E-01 -.20162232E-01 -.18456471E-01 -.16338911E-01
|
|
497
|
-
-.13972699E-01 -.11498878E-01 -.90360285E-02 -.66803853E-02 -.45064745E-02
|
|
498
|
-
-.25682227E-02 -.90050632E-03 .47893218E-03 .15672814E-02 .23742648E-02
|
|
499
|
-
.29196471E-02 .32307361E-02 .33399697E-02 .32826649E-02 .30949953E-02
|
|
500
|
-
.28122444E-02 .24673721E-02 .20899083E-02 .17051777E-02 .13338428E-02
|
|
501
|
-
.99173885E-03 .68996774E-03 .43520742E-03 .23019038E-03 .74302476E-04
|
|
502
|
-
-.35745840E-04 -.10522106E-03 -.14068126E-03 -.14933807E-03 -.13849278E-03
|
|
503
|
-
Reciprocal Space Part
|
|
504
|
-
.24327979E+02 .24237811E+02 .23968371E+02 .23522841E+02 .22906464E+02
|
|
505
|
-
.22126472E+02 .21191969E+02 .20113797E+02 .18904368E+02 .17577480E+02
|
|
506
|
-
.16148111E+02 .14632195E+02 .13046389E+02 .11407837E+02 .97339172E+01
|
|
507
|
-
.80420056E+01 .63492337E+01 .46722596E+01 .30270504E+01 .14286811E+01
|
|
508
|
-
-.10884823E+00 -.15727725E+01 -.29516991E+01 -.42357185E+01 -.54164894E+01
|
|
509
|
-
-.64872952E+01 -.74430739E+01 -.82804203E+01 -.89975618E+01 -.95943101E+01
|
|
510
|
-
-.10071988E+02 -.10433338E+02 -.10682407E+02 -.10824422E+02 -.10865648E+02
|
|
511
|
-
-.10813236E+02 -.10675068E+02 -.10459593E+02 -.10175665E+02 -.98323871E+01
|
|
512
|
-
-.94389510E+01 -.90044948E+01 -.85379634E+01 -.80479836E+01 -.75427521E+01
|
|
513
|
-
-.70299388E+01 -.65166048E+01 -.60091380E+01 -.55132040E+01 -.50337145E+01
|
|
514
|
-
-.45748108E+01 -.41398630E+01 -.37314836E+01 -.33515534E+01 -.30012599E+01
|
|
515
|
-
-.26811450E+01 -.23911609E+01 -.21307339E+01 -.18988310E+01 -.16940311E+01
|
|
516
|
-
-.15145970E+01 -.13585470E+01 -.12237253E+01 -.11078684E+01 -.10086680E+01
|
|
517
|
-
-.92382862E+00 -.85111830E+00 -.78841358E+00 -.73373677E+00 -.68528605E+00
|
|
518
|
-
-.64145811E+00 -.60086366E+00 -.56233584E+00 -.52493223E+00 -.48793079E+00
|
|
519
|
-
-.45082049E+00 -.41328744E+00 -.37519699E+00 -.33657300E+00 -.29757480E+00
|
|
520
|
-
-.25847270E+00 -.21962294E+00 -.18144260E+00 -.14438535E+00 -.10891843E+00
|
|
521
|
-
-.75501416E-01 -.44567320E-01 -.16506117E-01 .83488755E-02 .29731731E-01
|
|
522
|
-
.47451671E-01 .61397886E-01 .71541515E-01 .77934963E-01 .80708770E-01
|
|
523
|
-
.80066313E-01 .76276645E-01 .69665799E-01 .60606905E-01 .49509481E-01
|
|
524
|
-
Real Space Part
|
|
525
|
-
-.12589065E+03 -.12556063E+03 -.12457439E+03 -.12294320E+03 -.12068568E+03
|
|
526
|
-
-.11782745E+03 -.11440072E+03 -.11044375E+03 -.10600023E+03 -.10111855E+03
|
|
527
|
-
-.95851095E+02 -.90253343E+02 -.84383058E+02 -.78299407E+02 -.72062087E+02
|
|
528
|
-
-.65730473E+02 -.59362798E+02 -.53015383E+02 -.46741923E+02 -.40592848E+02
|
|
529
|
-
-.34614767E+02 -.28849998E+02 -.23336189E+02 -.18106042E+02 -.13187127E+02
|
|
530
|
-
-.86017965E+01 -.43671832E+01 -.49529246E+00 .30068313E+01 .61368664E+01
|
|
531
|
-
.88969145E+01 .11293149E+02 .13335421E+02 .15036841E+02 .16413329E+02
|
|
532
|
-
.17483167E+02 .18266540E+02 .18785094E+02 .19061504E+02 .19119065E+02
|
|
533
|
-
.18981313E+02 .18671679E+02 .18213177E+02 .17628132E+02 .16937944E+02
|
|
534
|
-
.16162897E+02 .15321999E+02 .14432868E+02 .13511647E+02 .12572954E+02
|
|
535
|
-
.11629857E+02 .10693884E+02 .97750489E+01 .88818971E+01 .80215707E+01
|
|
536
|
-
.71998838E+01 .64214089E+01 .56895700E+01 .50067406E+01 .43743439E+01
|
|
537
|
-
.37929540E+01 .32623957E+01 .27818426E+01 .23499110E+01 .19647505E+01
|
|
538
|
-
.16241292E+01 .13255137E+01 .10661437E+01 .84310057E+00 .65336963E+00
|
|
539
|
-
.49389708E+00 .36164021E+00 .25361194E+00 .16691925E+00 .98795837E-01
|
|
540
|
-
.46629046E-01 .79812915E-02 -.19393857E-01 -.37540632E-01 -.48294799E-01
|
|
541
|
-
-.53281805E-01 -.53918989E-01 -.51421408E-01 -.46810849E-01 -.40927530E-01
|
|
542
|
-
-.34443978E-01 -.27880591E-01 -.21622342E-01 -.15936140E-01 -.10988351E-01
|
|
543
|
-
-.68620490E-02 -.35735730E-02 -.10880633E-02 .66632705E-03 .17857591E-02
|
|
544
|
-
.23797320E-02 .25618882E-02 .24426226E-02 .21234541E-02 .16930666E-02
|
|
545
|
-
Non local Part
|
|
546
|
-
1 2 1.47996038403635732
|
|
547
|
-
-0.129723304536926987 0.565733951814358038 0.565733951814358038 2.20711507648074834
|
|
548
|
-
Reciprocal Space Part
|
|
549
|
-
.00000000E+00 .46306065E+00 .91998913E+00 .13647676E+01 .17916047E+01
|
|
550
|
-
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|
|
551
|
-
.37053761E+01 .38838326E+01 .40170975E+01 .41050314E+01 .41482836E+01
|
|
552
|
-
.41482679E+01 .41071234E+01 .40276609E+01 .39132975E+01 .37679788E+01
|
|
553
|
-
.35960929E+01 .34023761E+01 .31918136E+01 .29695367E+01 .27407201E+01
|
|
554
|
-
.25104786E+01 .22837693E+01 .20652973E+01 .18594304E+01 .16701214E+01
|
|
555
|
-
.15008417E+01 .13545262E+01 .12335306E+01 .11396026E+01 .10738650E+01
|
|
556
|
-
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|
|
557
|
-
.12577015E+01 .13709220E+01 .15010942E+01 .16449990E+01 .17992394E+01
|
|
558
|
-
.19603168E+01 .21247074E+01 .22889352E+01 .24496421E+01 .26036514E+01
|
|
559
|
-
.27480257E+01 .28801160E+01 .29976037E+01 .30985324E+01 .31813308E+01
|
|
560
|
-
.32448262E+01 .32882480E+01 .33112232E+01 .33137624E+01 .32962385E+01
|
|
561
|
-
.32593587E+01 .32041303E+01 .31318221E+01 .30439218E+01 .29420919E+01
|
|
562
|
-
.28281233E+01 .27038900E+01 .25713046E+01 .24322761E+01 .22886704E+01
|
|
563
|
-
.21422758E+01 .19947718E+01 .18477041E+01 .17024641E+01 .15602749E+01
|
|
564
|
-
.14221818E+01 .12890492E+01 .11615620E+01 .10402318E+01 .92540732E+00
|
|
565
|
-
.81728827E+00 .71594214E+00 .62132297E+00 .53329147E+00 .45163572E+00
|
|
566
|
-
.37609183E+00 .30636360E+00 .24214096E+00 .18311627E+00 .12899839E+00
|
|
567
|
-
.79523972E-01 .34465784E-01 -.63618943E-02 -.43100986E-01 -.75850205E-01
|
|
568
|
-
-.10466835E+00 -.12958002E+00 -.15058331E+00 -.16765914E+00 -.18078173E+00
|
|
569
|
-
Real Space Part
|
|
570
|
-
.00000000E+00 .52465400E+01 .10403841E+02 .15384712E+02 .20106001E+02
|
|
571
|
-
.24490479E+02 .28468563E+02 .31979827E+02 .34974277E+02 .37413341E+02
|
|
572
|
-
.39270559E+02 .40531961E+02 .41196116E+02 .41273871E+02 .40787779E+02
|
|
573
|
-
.39771253E+02 .38267456E+02 .36327983E+02 .34011365E+02 .31381443E+02
|
|
574
|
-
.28505662E+02 .25453332E+02 .22293910E+02 .19095343E+02 .15922517E+02
|
|
575
|
-
.12835856E+02 .98901025E+01 .71332956E+01 .46059832E+01 .23406669E+01
|
|
576
|
-
.36149088E+00 -.13158316E+01 -.26838617E+01 -.37430668E+01 -.45012611E+01
|
|
577
|
-
-.49728827E+01 -.51781366E+01 -.51420364E+01 -.48933795E+01 -.44636885E+01
|
|
578
|
-
-.38861524E+01 -.31945999E+01 -.24225310E+01 -.16022331E+01 -.76400158E+00
|
|
579
|
-
.64519302E-01 .85886469E+00 .15981397E+01 .22652716E+01 .28471269E+01
|
|
580
|
-
.33345001E+01 .37219860E+01 .40077486E+01 .41932031E+01 .42826291E+01
|
|
581
|
-
.42827323E+01 .42021755E+01 .40510948E+01 .38406196E+01 .35824112E+01
|
|
582
|
-
.32882335E+01 .29695676E+01 .26372771E+01 .23013321E+01 .19705943E+01
|
|
583
|
-
.16526638E+01 .13537864E+01 .10788191E+01 .83124648E+00 .61324310E+00
|
|
584
|
-
.42577436E+00 .26872674E+00 .14106010E+00 .40973252E-01 -.33924691E-01
|
|
585
|
-
-.86444528E-01 -.11965486E+00 -.13673294E+00 -.14083253E+00 -.13497176E+00
|
|
586
|
-
-.12194263E+00 -.10424297E+00 -.84030414E-01 -.63097214E-01 -.42864048E-01
|
|
587
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-
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|
|
588
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-
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|
|
589
|
-
.19495725E-01 .15656230E-01 .11837427E-01 .82892529E-02 .51901351E-02
|
|
590
|
-
Reciprocal Space Part
|
|
591
|
-
.00000000E+00 -.16148666E+00 -.31520492E+00 -.45361416E+00 -.56962345E+00
|
|
592
|
-
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|
|
593
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-
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|
|
594
|
-
.68936014E+00 .10147992E+01 .13523893E+01 .16930982E+01 .20273150E+01
|
|
595
|
-
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|
|
596
|
-
.33427672E+01 .33620791E+01 .33047510E+01 .31661194E+01 .29430022E+01
|
|
597
|
-
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|
|
598
|
-
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|
|
599
|
-
-.44097303E+01 -.53332546E+01 -.62524757E+01 -.71551855E+01 -.80294612E+01
|
|
600
|
-
-.88638913E+01 -.96477870E+01 -.10371375E+02 -.11025971E+02 -.11604120E+02
|
|
601
|
-
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|
|
602
|
-
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|
|
603
|
-
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|
|
604
|
-
-.97357937E+01 -.91549919E+01 -.85642005E+01 -.79706806E+01 -.73810681E+01
|
|
605
|
-
-.68012814E+01 -.62364525E+01 -.56908822E+01 -.51680197E+01 -.46704654E+01
|
|
606
|
-
-.41999964E+01 -.37576127E+01 -.33436008E+01 -.29576139E+01 -.25987635E+01
|
|
607
|
-
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|
|
608
|
-
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|
|
609
|
-
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|
|
610
|
-
.74809820E+00 .85252414E+00 .94227927E+00 .10160730E+01 .10726613E+01
|
|
611
|
-
Real Space Part
|
|
612
|
-
.00000000E+00 -.18829886E+02 -.37333942E+02 -.55193679E+02 -.72105091E+02
|
|
613
|
-
-.87785417E+02 -.10197934E+03 -.11446445E+03 -.12505587E+03 -.13360987E+03
|
|
614
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-
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|
|
615
|
-
-.13969686E+03 -.13367917E+03 -.12603094E+03 -.11696385E+03 -.10671004E+03
|
|
616
|
-
-.95516015E+02 -.83636459E+02 -.71328053E+02 -.58843471E+02 -.46425734E+02
|
|
617
|
-
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|
|
618
|
-
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|
|
619
|
-
.37934890E+02 .39014516E+02 .39101449E+02 .38295106E+02 .36706825E+02
|
|
620
|
-
.34456110E+02 .31666941E+02 .28464244E+02 .24970607E+02 .21303327E+02
|
|
621
|
-
.17571842E+02 .13875595E+02 .10302370E+02 .69270870E+01 .38110833E+01
|
|
622
|
-
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|
|
623
|
-
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|
|
624
|
-
-.84156600E+01 -.79289332E+01 -.73209401E+01 -.66278995E+01 -.58833221E+01
|
|
625
|
-
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|
|
626
|
-
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|
|
627
|
-
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|
|
628
|
-
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|
|
629
|
-
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|
|
630
|
-
-.42770004E-01 -.53001011E-01 -.57398557E-01 -.57012563E-01 -.52975560E-01
|
|
631
|
-
-.46413818E-01 -.38376476E-01 -.29783312E-01 -.21390704E-01 -.13774444E-01
|
|
632
|
-
PAW radial sets
|
|
633
|
-
339 0.857719083652150327
|
|
634
|
-
(5E20.12)
|
|
635
|
-
augmentation charges (non sperical)
|
|
636
|
-
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|
|
637
|
-
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|
|
638
|
-
.241866334148E-01 .285130305025E-01 .105847740621E+00 -.405612400991E-01 .285130305025E-01
|
|
639
|
-
.290848679997E-01
|
|
640
|
-
uccopancies in atom
|
|
641
|
-
.201972345040E+01 .141818029651E+00 .000000000000E+00 .000000000000E+00 .141818029651E+00
|
|
642
|
-
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|
|
643
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
644
|
-
.000000000000E+00
|
|
645
|
-
grid
|
|
646
|
-
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|
|
647
|
-
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|
|
648
|
-
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|
|
649
|
-
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|
|
650
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-
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|
651
|
-
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|
|
652
|
-
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|
|
653
|
-
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|
|
654
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-
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|
|
655
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-
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|
|
656
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-
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|
|
657
|
-
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|
|
658
|
-
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|
|
659
|
-
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|
|
660
|
-
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|
|
661
|
-
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|
|
662
|
-
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|
|
663
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-
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|
|
664
|
-
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|
|
665
|
-
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|
|
666
|
-
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|
|
667
|
-
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|
|
668
|
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|
|
669
|
-
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|
|
670
|
-
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|
|
671
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-
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|
|
672
|
-
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|
|
673
|
-
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|
|
674
|
-
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|
|
675
|
-
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|
|
676
|
-
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|
|
677
|
-
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|
|
678
|
-
.372205761450E-02 .384308964273E-02 .396805733057E-02 .409708865587E-02 .423031575797E-02
|
|
679
|
-
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|
|
680
|
-
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|
|
681
|
-
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|
|
682
|
-
.705881109757E-02 .728834602489E-02 .752534485542E-02 .777005029668E-02 .802271294842E-02
|
|
683
|
-
.828359155928E-02 .855295329176E-02 .883107399579E-02 .911823849130E-02 .941474085982E-02
|
|
684
|
-
.972088474567E-02 .100369836670E-01 .103633613366E-01 .107003519938E-01 .110483007466E-01
|
|
685
|
-
.114075639247E-01 .117785094451E-01 .121615171885E-01 .125569793882E-01 .129653010321E-01
|
|
686
|
-
.133869002772E-01 .138222088780E-01 .142716726285E-01 .147357518189E-01 .152149217068E-01
|
|
687
|
-
.157096730041E-01 .162205123794E-01 .167479629768E-01 .172925649517E-01 .178548760243E-01
|
|
688
|
-
.184354720501E-01 .190349476103E-01 .196539166202E-01 .202930129581E-01 .209528911147E-01
|
|
689
|
-
.216342268627E-01 .223377179494E-01 .230640848114E-01 .238140713116E-01 .245884455018E-01
|
|
690
|
-
.253880004088E-01 .262135548468E-01 .270659542556E-01 .279460715667E-01 .288548080971E-01
|
|
691
|
-
.297930944725E-01 .307618915801E-01 .317621915527E-01 .327950187850E-01 .338614309824E-01
|
|
692
|
-
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|
|
693
|
-
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|
|
694
|
-
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|
|
695
|
-
.565020340024E-01 .583393391928E-01 .602363889645E-01 .621951260623E-01 .642175564039E-01
|
|
696
|
-
.663057511350E-01 .684618487493E-01 .706880572792E-01 .729866565568E-01 .753600005486E-01
|
|
697
|
-
.778105197662E-01 .803407237555E-01 .829532036664E-01 .856506349067E-01 .884357798817E-01
|
|
698
|
-
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|
|
699
|
-
.107155027127E+00 .110639441291E+00 .114237159910E+00 .117951867363E+00 .121787367836E+00
|
|
700
|
-
.125747589215E+00 .129836587115E+00 .134058549025E+00 .138417798604E+00 .142918800105E+00
|
|
701
|
-
.147566162945E+00 .152364646432E+00 .157319164630E+00 .162434791401E+00 .167716765592E+00
|
|
702
|
-
.173170496407E+00 .178801568943E+00 .184615749909E+00 .190618993536E+00 .196817447670E+00
|
|
703
|
-
.203217460069E+00 .209825584904E+00 .216648589475E+00 .223693461132E+00 .230967414441E+00
|
|
704
|
-
.238477898566E+00 .246232604898E+00 .254239474934E+00 .262506708409E+00 .271042771692E+00
|
|
705
|
-
.279856406458E+00 .288956638640E+00 .298352787670E+00 .308054476026E+00 .318071639084E+00
|
|
706
|
-
.328414535295E+00 .339093756689E+00 .350120239721E+00 .361505276474E+00 .373260526219E+00
|
|
707
|
-
.385398027361E+00 .397930209760E+00 .410869907467E+00 .424230371863E+00 .438025285231E+00
|
|
708
|
-
.452268774767E+00 .466975427050E+00 .482160302976E+00 .497838953186E+00 .514027433987E+00
|
|
709
|
-
.530742323799E+00 .548000740129E+00 .565820357103E+00 .584219423567E+00 .603216781772E+00
|
|
710
|
-
.622831886674E+00 .643084825853E+00 .663996340089E+00 .685587844601E+00 .707881450975E+00
|
|
711
|
-
.730899989812E+00 .754667034108E+00 .779206923393E+00 .804544788659E+00 .830706578092E+00
|
|
712
|
-
.857719083652E+00 .885609968505E+00 .914407795354E+00 .944142055691E+00 .974843199995E+00
|
|
713
|
-
.100654266892E+01 .103927292550E+01 .107306748837E+01 .110796096611E+01
|
|
714
|
-
aepotential
|
|
715
|
-
.365398350053E+05 .350200980458E+05 .335611348473E+05 .321609593423E+05 .308176716990E+05
|
|
716
|
-
.295293558369E+05 .282937843857E+05 .271096882923E+05 .259745535093E+05 .248871248927E+05
|
|
717
|
-
.238455552519E+05 .228481098464E+05 .218927857719E+05 .209780585469E+05 .201026609122E+05
|
|
718
|
-
.192648831128E+05 .184627596813E+05 .176955130326E+05 .169602718027E+05 .162578489949E+05
|
|
719
|
-
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720
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721
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722
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723
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724
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725
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726
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727
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728
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729
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730
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731
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732
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733
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734
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735
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736
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737
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738
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739
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740
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741
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742
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743
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744
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745
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746
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747
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748
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749
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750
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751
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752
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753
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754
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755
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756
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757
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758
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759
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760
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761
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762
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763
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764
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765
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766
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767
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768
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769
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770
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771
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772
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773
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774
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775
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776
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777
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778
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779
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780
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781
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782
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|
783
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core charge-density
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|
784
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|
785
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|
786
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|
787
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|
788
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|
789
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|
790
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791
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|
792
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-
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|
793
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-
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|
794
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|
795
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|
796
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797
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-
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|
798
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-
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|
799
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|
800
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-
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|
801
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-
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|
802
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|
803
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-
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804
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|
805
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-
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|
806
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807
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-
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|
808
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
809
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
810
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
811
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
812
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
813
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
814
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-
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815
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-
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|
816
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-
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|
817
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-
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|
818
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
819
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
820
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-
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|
821
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
822
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
823
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
824
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
825
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-
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|
|
826
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
827
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-
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|
828
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-
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|
829
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
830
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-
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|
831
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
832
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
833
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
834
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
835
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-
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|
|
836
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-
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|
|
837
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-
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|
|
838
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-
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|
|
839
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-
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|
|
840
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
841
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-
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|
842
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
843
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
844
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-
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|
845
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
846
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|
847
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-
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|
848
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-
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|
849
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-
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|
850
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-
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|
|
851
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
852
|
-
kinetic energy-density
|
|
853
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
854
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
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|
855
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-
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|
856
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-
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|
857
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-
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|
858
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-
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|
|
859
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-
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|
|
860
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
861
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
862
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.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
863
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
864
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
865
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|
|
866
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|
|
867
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.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
868
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
869
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
870
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.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
871
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
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872
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-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1023
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1024
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1025
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1026
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1027
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1028
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1029
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1030
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1031
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1032
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1033
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1034
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1035
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1036
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1037
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1038
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1039
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1040
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1041
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1042
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1043
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1044
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1045
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1046
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1047
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1048
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1049
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1050
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1051
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1052
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1053
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1054
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1055
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1056
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1057
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1058
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
1059
|
-
pseudo wavefunction
|
|
1060
|
-
.847428696696E-04 .874984963740E-04 .903437291835E-04 .932814818649E-04 .963147629335E-04
|
|
1061
|
-
.994466787340E-04 .102680436622E-03 .106019348247E-03 .109466832948E-03 .113026421248E-03
|
|
1062
|
-
.116701758478E-03 .120496608503E-03 .124414857582E-03 .128460518343E-03 .132637733896E-03
|
|
1063
|
-
.136950782075E-03 .141404079817E-03 .146002187688E-03 .150749814552E-03 .155651822392E-03
|
|
1064
|
-
.160713231293E-03 .165939224579E-03 .171335154122E-03 .176906545826E-03 .182659105281E-03
|
|
1065
|
-
.188598723610E-03 .194731483500E-03 .201063665431E-03 .207601754110E-03 .214352445110E-03
|
|
1066
|
-
.221322651725E-03 .228519512056E-03 .235950396313E-03 .243622914370E-03 .251544923552E-03
|
|
1067
|
-
.259724536687E-03 .268170130410E-03 .276890353744E-03 .285894136956E-03 .295190700703E-03
|
|
1068
|
-
.304789565473E-03 .314700561339E-03 .324933838020E-03 .335499875281E-03 .346409493659E-03
|
|
1069
|
-
.357673865551E-03 .369304526650E-03 .381313387760E-03 .393712746995E-03 .406515302371E-03
|
|
1070
|
-
.419734164813E-03 .433382871577E-03 .447475400119E-03 .462026182403E-03 .477050119685E-03
|
|
1071
|
-
.492562597770E-03 .508579502771E-03 .525117237375E-03 .542192737643E-03 .559823490351E-03
|
|
1072
|
-
.578027550901E-03 .596823561807E-03 .616230771791E-03 .636269055491E-03 .656958933815E-03
|
|
1073
|
-
.678321594958E-03 .700378916097E-03 .723153485797E-03 .746668627142E-03 .770948421620E-03
|
|
1074
|
-
.796017733782E-03 .821902236706E-03 .848628438291E-03 .876223708394E-03 .904716306868E-03
|
|
1075
|
-
.934135412495E-03 .964511152868E-03 .995874635244E-03 .102825797840E-02 .106169434552E-02
|
|
1076
|
-
.109621797815E-02 .113186423129E-02 .116866960956E-02 .120667180461E-02 .124590973370E-02
|
|
1077
|
-
.128642357957E-02 .132825483156E-02 .137144632813E-02 .141604230069E-02 .146208841892E-02
|
|
1078
|
-
.150963183754E-02 .155872124455E-02 .160940691115E-02 .166174074316E-02 .171577633421E-02
|
|
1079
|
-
.177156902058E-02 .182917593790E-02 .188865607962E-02 .195007035744E-02 .201348166365E-02
|
|
1080
|
-
.207895493556E-02 .214655722197E-02 .221635775180E-02 .228842800501E-02 .236284178575E-02
|
|
1081
|
-
.243967529796E-02 .251900722334E-02 .260091880195E-02 .268549391534E-02 .277281917246E-02
|
|
1082
|
-
.286298399831E-02 .295608072548E-02 .305220468867E-02 .315145432229E-02 .325393126120E-02
|
|
1083
|
-
.335974044476E-02 .346899022426E-02 .358179247375E-02 .369826270465E-02 .381852018385E-02
|
|
1084
|
-
.394268805588E-02 .407089346885E-02 .420326770460E-02 .433994631303E-02 .448106925081E-02
|
|
1085
|
-
.462678102453E-02 .477723083862E-02 .493257274790E-02 .509296581525E-02 .525857427427E-02
|
|
1086
|
-
.542956769726E-02 .560612116866E-02 .578841546410E-02 .597663723520E-02 .617097920047E-02
|
|
1087
|
-
.637164034231E-02 .657882611037E-02 .679274863160E-02 .701362692696E-02 .724168713529E-02
|
|
1088
|
-
.747716274427E-02 .772029482899E-02 .797133229812E-02 .823053214809E-02 .849815972546E-02
|
|
1089
|
-
.877448899779E-02 .905980283320E-02 .935439328898E-02 .965856190949E-02 .997262003365E-02
|
|
1090
|
-
.102968891124E-01 .106317010361E-01 .109773984731E-01 .113343352181E-01 .117028765530E-01
|
|
1091
|
-
.120833996183E-01 .124762937968E-01 .128819611094E-01 .133008166242E-01 .137332888774E-01
|
|
1092
|
-
.141798203092E-01 .146408677121E-01 .151169026945E-01 .156084121584E-01 .161158987927E-01
|
|
1093
|
-
.166398815820E-01 .171808963311E-01 .177394962064E-01 .183162522945E-01 .189117541781E-01
|
|
1094
|
-
.195266105294E-01 .201614497235E-01 .208169204693E-01 .214936924610E-01 .221924570495E-01
|
|
1095
|
-
.229139279344E-01 .236588418776E-01 .244279594385E-01 .252220657314E-01 .260419712069E-01
|
|
1096
|
-
.268885124553E-01 .277625530360E-01 .286649843300E-01 .295967264192E-01 .305587289905E-01
|
|
1097
|
-
.315519722671E-01 .325774679665E-01 .336362602870E-01 .347294269209E-01 .358580800978E-01
|
|
1098
|
-
.370233676568E-01 .382264741480E-01 .394686219643E-01 .407510725044E-01 .420751273663E-01
|
|
1099
|
-
.434421295715E-01 .448534648223E-01 .463105627889E-01 .478148984300E-01 .493679933445E-01
|
|
1100
|
-
.509714171551E-01 .526267889233E-01 .543357785966E-01 .561001084854E-01 .579215547708E-01
|
|
1101
|
-
.598019490419E-01 .617431798615E-01 .637471943584E-01 .658159998464E-01 .679516654665E-01
|
|
1102
|
-
.701563238512E-01 .724321728085E-01 .747814770219E-01 .772065697643E-01 .797098546211E-01
|
|
1103
|
-
.822938072186E-01 .849609769530E-01 .877139887140E-01 .905555445973E-01 .934884255979E-01
|
|
1104
|
-
.965154932779E-01 .996396913981E-01 .102864047505E+00 .106191674459E+00 .109625771896E+00
|
|
1105
|
-
.113169627607E+00 .116826618812E+00 .120600213325E+00 .124493970581E+00 .128511542507E+00
|
|
1106
|
-
.132656674209E+00 .136933204457E+00 .141345065930E+00 .145896285199E+00 .150590982396E+00
|
|
1107
|
-
.155433370554E+00 .160427754547E+00 .165578529609E+00 .170890179357E+00 .176367273276E+00
|
|
1108
|
-
.182014463600E+00 .187836481507E+00 .193838132570E+00 .200024291369E+00 .206399895175E+00
|
|
1109
|
-
.212969936606E+00 .219739455146E+00 .226713527407E+00 .233897256007E+00 .241295756911E+00
|
|
1110
|
-
.248914145097E+00 .256757518366E+00 .264830939121E+00 .273139413908E+00 .281687870521E+00
|
|
1111
|
-
.290481132427E+00 .299523890267E+00 .308820670161E+00 .318375798542E+00 .328193363191E+00
|
|
1112
|
-
.338277170167E+00 .348630696261E+00 .359257036615E+00 .370158847111E+00 .381338281110E+00
|
|
1113
|
-
.392796920115E+00 .404535697902E+00 .416554817651E+00 .428853661599E+00 .441430692724E+00
|
|
1114
|
-
.454283347966E+00 .467407922505E+00 .480799444609E+00 .494451540611E+00 .508356289584E+00
|
|
1115
|
-
.522504067371E+00 .536883379646E+00 .551480683837E+00 .566280199800E+00 .581263709339E+00
|
|
1116
|
-
.596410344803E+00 .611696367271E+00 .627094935068E+00 .642575863726E+00 .658105378879E+00
|
|
1117
|
-
.673645864059E+00 .689155605914E+00 .704588540011E+00 .719894001105E+00 .735016482642E+00
|
|
1118
|
-
.749895411184E+00 .764464942551E+00 .778653787697E+00 .792385077630E+00 .805576278211E+00
|
|
1119
|
-
.818139167176E+00 .829979887457E+00 .840999092569E+00 .851092201632E+00 .860149783304E+00
|
|
1120
|
-
.868058089536E+00 .874699761451E+00 .879954730697E+00 .883701340163E+00 .885817707688E+00
|
|
1121
|
-
.886183355247E+00 .884681123497E+00 .881199387443E+00 .875634582655E+00 .867894042597E+00
|
|
1122
|
-
.857899135695E+00 .845588675142E+00 .830922554583E+00 .813885538274E+00 .794491104500E+00
|
|
1123
|
-
.772785205754E+00 .748849768406E+00 .722805708683E+00 .694815191640E+00 .665082807288E+00
|
|
1124
|
-
.633855285709E+00 .601419325057E+00 .568097068308E+00 .534238744091E+00 .500211993541E+00
|
|
1125
|
-
.466387450826E+00 .433120244060E+00 .400727251960E+00 .369460207170E+00 .339475142537E+00
|
|
1126
|
-
.310839088902E+00 .283615807052E+00 .257869878194E+00 .233652162112E+00 .210983608233E+00
|
|
1127
|
-
.189847974545E+00 .170203896690E+00 .152003330490E+00 .135199854025E+00
|
|
1128
|
-
ae wavefunction
|
|
1129
|
-
.539607230619E-03 .557147149078E-03 .575257124909E-03 .593955680244E-03 .613261938698E-03
|
|
1130
|
-
.633195644872E-03 .653777184490E-03 .675027605206E-03 .696968638050E-03 .719622719602E-03
|
|
1131
|
-
.743013014864E-03 .767163440871E-03 .792098691078E-03 .817844260523E-03 .844426471810E-03
|
|
1132
|
-
.871872501926E-03 .900210409931E-03 .929469165537E-03 .959678678608E-03 .990869829635E-03
|
|
1133
|
-
.102307450114E-02 .105632561017E-02 .109065714175E-02 .112610418352E-02 .116270296140E-02
|
|
1134
|
-
.120049087642E-02 .123950654280E-02 .127978982715E-02 .132138188905E-02 .136432522285E-02
|
|
1135
|
-
.140866370087E-02 .145444261792E-02 .150170873732E-02 .155051033842E-02 .160089726552E-02
|
|
1136
|
-
.165292097850E-02 .170663460502E-02 .176209299440E-02 .181935277320E-02 .187847240263E-02
|
|
1137
|
-
.193951223778E-02 .200253458876E-02 .206760378374E-02 .213478623414E-02 .220415050174E-02
|
|
1138
|
-
.227576736806E-02 .234970990593E-02 .242605355327E-02 .250487618939E-02 .258625821353E-02
|
|
1139
|
-
.267028262606E-02 .275703511217E-02 .284660412830E-02 .293908099126E-02 .303455997022E-02
|
|
1140
|
-
.313313838160E-02 .323491668700E-02 .333999859425E-02 .344849116159E-02 .356050490523E-02
|
|
1141
|
-
.367615391027E-02 .379555594523E-02 .391883257993E-02 .404610930746E-02 .417751566972E-02
|
|
1142
|
-
.431318538708E-02 .445325649187E-02 .459787146650E-02 .474717738548E-02 .490132606213E-02
|
|
1143
|
-
.506047419984E-02 .522478354809E-02 .539442106319E-02 .556955907434E-02 .575037545453E-02
|
|
1144
|
-
.593705379697E-02 .612978359696E-02 .632876043933E-02 .653418619181E-02 .674626920425E-02
|
|
1145
|
-
.696522451408E-02 .719127405804E-02 .742464689049E-02 .766557940835E-02 .791431558299E-02
|
|
1146
|
-
.817110719913E-02 .843621410109E-02 .870990444664E-02 .899245496821E-02 .928415124246E-02
|
|
1147
|
-
.958528796764E-02 .989616924954E-02 .102171088959E-01 .105484307196E-01 .108904688512E-01
|
|
1148
|
-
.112435680603E-01 .116080840869E-01 .119843839826E-01 .123728464612E-01 .127738622605E-01
|
|
1149
|
-
.131878345140E-01 .136151791336E-01 .140563252041E-01 .145117153879E-01 .149818063423E-01
|
|
1150
|
-
.154670691484E-01 .159679897526E-01 .164850694196E-01 .170188252001E-01 .175697904092E-01
|
|
1151
|
-
.181385151205E-01 .187255666725E-01 .193315301891E-01 .199570091152E-01 .206026257658E-01
|
|
1152
|
-
.212690218909E-01 .219568592549E-01 .226668202321E-01 .233996084168E-01 .241559492511E-01
|
|
1153
|
-
.249365906668E-01 .257423037466E-01 .265738833988E-01 .274321490523E-01 .283179453666E-01
|
|
1154
|
-
.292321429597E-01 .301756391554E-01 .311493587453E-01 .321542547725E-01 .331913093308E-01
|
|
1155
|
-
.342615343831E-01 .353659725991E-01 .365056982103E-01 .376818178845E-01 .388954716172E-01
|
|
1156
|
-
.401478336454E-01 .414401133760E-01 .427735563329E-01 .441494451261E-01 .455691004346E-01
|
|
1157
|
-
.470338820096E-01 .485451896948E-01 .501044644611E-01 .517131894652E-01 .533728911140E-01
|
|
1158
|
-
.550851401545E-01 .568515527728E-01 .586737917043E-01 .605535673703E-01 .624926390078E-01
|
|
1159
|
-
.644928158264E-01 .665559581679E-01 .686839786703E-01 .708788434509E-01 .731425732802E-01
|
|
1160
|
-
.754772447697E-01 .778849915546E-01 .803680054804E-01 .829285377806E-01 .855689002525E-01
|
|
1161
|
-
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1162
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1163
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1164
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1165
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1166
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1167
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1168
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1169
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1170
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1171
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1172
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1173
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1174
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1175
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1176
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1177
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1178
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1179
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1180
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1181
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1182
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1183
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1184
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1185
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1186
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1187
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1188
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1189
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1190
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1191
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1192
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1193
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1194
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1195
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1196
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1197
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pseudo wavefunction
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1198
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1199
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1200
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1201
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1202
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1203
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1204
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1205
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1206
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1207
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1208
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1209
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1210
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1211
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1212
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1213
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1214
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1215
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1216
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1217
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1218
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1219
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1220
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1221
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1222
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1223
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1224
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1225
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1226
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1227
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1228
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1229
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1230
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1231
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1232
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1233
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1234
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1235
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1236
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1237
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1238
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1239
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1240
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1241
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1242
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1243
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1244
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1245
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1246
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1247
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1248
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1249
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1250
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1251
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1252
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1253
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1254
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1255
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1256
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1257
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1258
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1259
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1260
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1261
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1262
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1263
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1264
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1265
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1266
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ae wavefunction
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1267
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1268
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1269
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1270
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1271
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1272
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1273
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1274
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1275
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1276
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1277
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1278
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1279
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1280
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1281
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1282
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1283
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1284
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1285
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1286
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1287
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1288
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1289
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1290
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1291
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-.778347057140E-02 -.803495745110E-02 -.829451797994E-02 -.856240791635E-02 -.883889089293E-02
|
|
1292
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-
-.912423864365E-02 -.941873123686E-02 -.972265731313E-02 -.100363143296E-01 -.103600088093E-01
|
|
1293
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-
-.106940565966E-01 -.110387831183E-01 -.113945236503E-01 -.117616235906E-01 -.121404387369E-01
|
|
1294
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-
-.125313355719E-01 -.129346915525E-01 -.133508954054E-01 -.137803474288E-01 -.142234597994E-01
|
|
1295
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-
-.146806568846E-01 -.151523755605E-01 -.156390655348E-01 -.161411896761E-01 -.166592243460E-01
|
|
1296
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-
-.171936597379E-01 -.177450002203E-01 -.183137646815E-01 -.189004868840E-01 -.195057158159E-01
|
|
1297
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-
-.201300160512E-01 -.207739681100E-01 -.214381688212E-01 -.221232316896E-01 -.228297872611E-01
|
|
1298
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-
-.235584834915E-01 -.243099861139E-01 -.250849790067E-01 -.258841645591E-01 -.267082640352E-01
|
|
1299
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-
-.275580179354E-01 -.284341863522E-01 -.293375493232E-01 -.302689071748E-01 -.312290808614E-01
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|
1300
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-
-.322189122929E-01 -.332392646527E-01 -.342910227066E-01 -.353750930893E-01 -.364924045864E-01
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|
1301
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-
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|
|
1302
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-
-.439492005236E-01 -.453271152010E-01 -.467465249366E-01 -.482085666076E-01 -.497144006296E-01
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|
1303
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-
-.512652108917E-01 -.528622046404E-01 -.545066123145E-01 -.561996873128E-01 -.579427056969E-01
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|
1304
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-
-.597369658328E-01 -.615837879468E-01 -.634845136041E-01 -.654405051015E-01 -.674531447637E-01
|
|
1305
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-
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|
|
1306
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-
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1307
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-
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|
1308
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-
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1309
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|
1310
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-
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1311
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-
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1312
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-
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|
1313
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-
-.216234443098E+00 -.221808706313E+00 -.227478106032E+00 -.233240992494E+00 -.239095434644E+00
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|
1314
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-
-.245039203333E+00 -.251069754040E+00 -.257184209175E+00 -.263379339947E+00 -.269651547903E+00
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|
1315
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-
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|
1316
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-
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|
1317
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-
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|
1318
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-
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|
|
1319
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-
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|
|
1320
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-
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|
|
1321
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-
-.459626943083E+00 -.463341113941E+00 -.466703308259E+00 -.469690447272E+00 -.472279107570E+00
|
|
1322
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-
-.474445579979E+00 -.476165933902E+00 -.477416086808E+00 -.478171879300E+00 -.478409155419E+00
|
|
1323
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-
-.478103848301E+00 -.477232071047E+00 -.475770212807E+00 -.473695039678E+00 -.470983800618E+00
|
|
1324
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-
-.467614337769E+00 -.463565201259E+00 -.458815767965E+00 -.453346364081E+00 -.447138391038E+00
|
|
1325
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-
-.440174454345E+00 -.432438495061E+00 -.423915923151E+00 -.414593752433E+00 -.404460736329E+00
|
|
1326
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-
-.393507503821E+00 -.381726694857E+00 -.369113094353E+00 -.355663763864E+00 -.341378169879E+00
|
|
1327
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-
-.326258307502E+00 -.310308818242E+00 -.293537100290E+00 -.275953409674E+00 -.257570950183E+00
|
|
1328
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-
-.238405950106E+00 -.218477720077E+00 -.197808683870E+00 -.176424414783E+00 -.154353640631E+00
|
|
1329
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-
-.131628219721E+00 -.108283090915E+00 -.843561981843E-01 -.598883916998E-01 -.349233098933E-01
|
|
1330
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-
-.950724986182E-02 .163109631985E-01 .424800934788E-01 .689465821323E-01 .956545870011E-01
|
|
1331
|
-
.122545958831E+00 .149560146380E+00 .176634039913E+00 .203701792662E+00 .230694708263E+00
|
|
1332
|
-
.257541355693E+00 .284168178896E+00 .310501002151E+00 .336467953677E+00 .362004314347E+00
|
|
1333
|
-
.387059351534E+00 .411603681552E+00 .435632078160E+00 .459151771478E+00 .482150375852E+00
|
|
1334
|
-
.504563764845E+00 .526279704747E+00 .547171518775E+00 .567123663118E+00
|
|
1335
|
-
pseudo wavefunction
|
|
1336
|
-
.142856624862E-08 .152298361872E-08 .162364125929E-08 .173095160477E-08 .184535434838E-08
|
|
1337
|
-
.196731824374E-08 .209734302548E-08 .223596145693E-08 .238374151302E-08 .254128870748E-08
|
|
1338
|
-
.270924857391E-08 .288830931079E-08 .307920460127E-08 .328271661937E-08 .349967923489E-08
|
|
1339
|
-
.373098143007E-08 .397757094212E-08 .424045814647E-08 .452072019670E-08 .481950543805E-08
|
|
1340
|
-
.513803811262E-08 .547762337566E-08 .583965264320E-08 .622560929335E-08 .663707474418E-08
|
|
1341
|
-
.707573493352E-08 .754338722684E-08 .804194778181E-08 .857345939957E-08 .914009989486E-08
|
|
1342
|
-
.974419101943E-08 .103882079752E-07 .110747895560E-07 .118067489600E-07 .125870853163E-07
|
|
1343
|
-
.134189959737E-07 .143058896014E-07 .152514001557E-07 .162594017698E-07 .173340246276E-07
|
|
1344
|
-
.184796718868E-07 .197010377203E-07 .210031265502E-07 .223912735528E-07 .238711665188E-07
|
|
1345
|
-
.254488691589E-07 .271308459487E-07 .289239886168E-07 .308356443822E-07 .328736460594E-07
|
|
1346
|
-
.350463441525E-07 .373626410701E-07 .398320276024E-07 .424646218086E-07 .452712104746E-07
|
|
1347
|
-
.482632933108E-07 .514531300709E-07 .548537907851E-07 .584792093128E-07 .623442404357E-07
|
|
1348
|
-
.664647207234E-07 .708575334221E-07 .755406776321E-07 .805333420570E-07 .858559836275E-07
|
|
1349
|
-
.915304113217E-07 .975798755249E-07 .104029163296E-06 .110904699928E-06 .118234657227E-06
|
|
1350
|
-
.126049068938E-06 .134379953810E-06 .143261446784E-06 .152729938862E-06 .162824226214E-06
|
|
1351
|
-
.173585669140E-06 .185058361538E-06 .197289311579E-06 .210328634313E-06 .224229757013E-06
|
|
1352
|
-
.239049638083E-06 .254849000445E-06 .271692580341E-06 .289649392581E-06 .308793013326E-06
|
|
1353
|
-
.329201881559E-06 .350959620475E-06 .374155380122E-06 .398884202682E-06 .425247411895E-06
|
|
1354
|
-
.453353028220E-06 .483316211437E-06 .515259732500E-06 .549314476580E-06 .585619979344E-06
|
|
1355
|
-
.624324998689E-06 .665588124263E-06 .709578427257E-06 .756476153160E-06 .806473460289E-06
|
|
1356
|
-
.859775207134E-06 .916599791734E-06 .977180046540E-06 .104176419241E-05 .111061685565E-05
|
|
1357
|
-
.118402015231E-05 .126227484409E-05 .134570157066E-05 .143464216347E-05 .152946104629E-05
|
|
1358
|
-
.163054672845E-05 .173831339666E-05 .185320261204E-05 .197568511940E-05 .210626277601E-05
|
|
1359
|
-
.224547060786E-05 .239387900184E-05 .255209604280E-05 .272077000504E-05 .290059200850E-05
|
|
1360
|
-
.309229885049E-05 .329667602452E-05 .351456093872E-05 .374684634693E-05 .399448400650E-05
|
|
1361
|
-
.425848857796E-05 .453994178223E-05 .483999683278E-05 .515988316053E-05 .550091145112E-05
|
|
1362
|
-
.586447901505E-05 .625207551269E-05 .666528905770E-05 .710581272377E-05 .757545148138E-05
|
|
1363
|
-
.807612959296E-05 .860989849684E-05 .917894521211E-05 .978560129902E-05 .104323524114E-04
|
|
1364
|
-
.111218484806E-04 .118569145721E-04 .126405624596E-04 .134760029642E-04 .143666591091E-04
|
|
1365
|
-
.153161801427E-04 .163284564895E-04 .174076356880E-04 .185581393826E-04 .197846814375E-04
|
|
1366
|
-
.210922872480E-04 .224863143278E-04 .239724742561E-04 .255568560755E-04 .272459512357E-04
|
|
1367
|
-
.290466801847E-04 .309664207176E-04 .330130381977E-04 .351949177749E-04 .375209987321E-04
|
|
1368
|
-
.400008111006E-04 .426445146947E-04 .454629407244E-04 .484676361577E-04 .516709110122E-04
|
|
1369
|
-
.550858887711E-04 .587265601289E-04 .626078402869E-04 .667456300324E-04 .711568808522E-04
|
|
1370
|
-
.758596643452E-04 .808732462187E-04 .862181651714E-04 .919163169832E-04 .979910441579E-04
|
|
1371
|
-
.104467231483E-03 .111371407898E-03 .118731855084E-03 .126578723228E-03 .134944154412E-03
|
|
1372
|
-
.143862414162E-03 .153370031661E-03 .163505949226E-03 .174311681628E-03 .185831485938E-03
|
|
1373
|
-
.198112542564E-03 .211205148224E-03 .225162921644E-03 .240043022817E-03 .255906386705E-03
|
|
1374
|
-
.272817972348E-03 .290847028376E-03 .310067376015E-03 .330557710724E-03 .352401923693E-03
|
|
1375
|
-
.375689444496E-03 .400515606293E-03 .426982035053E-03 .455197064371E-03 .485276177551E-03
|
|
1376
|
-
.517342478738E-03 .551527194999E-03 .587970211367E-03 .626820641001E-03 .668237432743E-03
|
|
1377
|
-
.712390018516E-03 .759459003138E-03 .809636899323E-03 .863128910782E-03 .920153766548E-03
|
|
1378
|
-
.980944609842E-03 .104574994499E-02 .111483464614E-02 .118848103177E-02 .126699000916E-02
|
|
1379
|
-
.135068229345E-02 .143989970581E-02 .153500655607E-02 .163639111500E-02 .174446718191E-02
|
|
1380
|
-
.185967575379E-02 .198248680222E-02 .211340116494E-02 .225295255922E-02 .240170972476E-02
|
|
1381
|
-
.256027870396E-02 .272930526837E-02 .290947750008E-02 .310152853778E-02 .330623949739E-02
|
|
1382
|
-
.352444257801E-02 .375702436426E-02 .400492933688E-02 .426916360399E-02 .455079886592E-02
|
|
1383
|
-
.485097662758E-02 .517091267243E-02 .551190181325E-02 .587532293557E-02 .626264434983E-02
|
|
1384
|
-
.667542946990E-02 .711534283532E-02 .758415649613E-02 .808375677923E-02 .861615145621E-02
|
|
1385
|
-
.918347733297E-02 .978800828211E-02 .104321637394E-01 .111185176861E-01 .118498081396E-01
|
|
1386
|
-
.126289471730E-01 .134590314888E-01 .143433535643E-01 .152854133948E-01 .162889308513E-01
|
|
1387
|
-
.173578586748E-01 .184963961252E-01 .197090032996E-01 .210004161361E-01 .223756621126E-01
|
|
1388
|
-
.238400766499E-01 .253993202196E-01 .270593961579E-01 .288266691745E-01 .307078845430E-01
|
|
1389
|
-
.327101879472E-01 .348411459501E-01 .371087670402E-01 .395215231950E-01 .420883718884E-01
|
|
1390
|
-
.448187784500E-01 .477227386635E-01 .508108014708E-01 .540940916210E-01 .575843320746E-01
|
|
1391
|
-
.612938659427E-01 .652356777029E-01 .694234133938E-01 .738713994462E-01 .785946597605E-01
|
|
1392
|
-
.836089305837E-01 .889306726859E-01 .945770802667E-01 .100566085961E+00 .106916361235E+00
|
|
1393
|
-
.113647311394E+00 .120779064342E+00 .128332452142E+00 .136328984372E+00 .144790812154E+00
|
|
1394
|
-
.153740681690E+00 .163201876053E+00 .173198143926E+00 .183753613942E+00 .194892693259E+00
|
|
1395
|
-
.206639949022E+00 .219019971387E+00 .232057216925E+00 .245775831338E+00 .260199450682E+00
|
|
1396
|
-
.275350980607E+00 .291252353567E+00 .307924264500E+00 .325385886205E+00 .343654566509E+00
|
|
1397
|
-
.362745510418E+00 .382671451684E+00 .403442319800E+00 .425064910126E+00 .447542566904E+00
|
|
1398
|
-
.470874891129E+00 .495057487687E+00 .520081768791E+00 .545934833397E+00 .572599444893E+00
|
|
1399
|
-
.600054131735E+00 .628273437587E+00 .657228348572E+00 .686886925103E+00 .717215163764E+00
|
|
1400
|
-
.748178110400E+00 .779741237940E+00 .811872090834E+00 .844542181094E+00 .877729097934E+00
|
|
1401
|
-
.911418762529E+00 .945607720619E+00 .980305317655E+00 .101553554353E+01 .105133826693E+01
|
|
1402
|
-
.108776950449E+01 .112490028980E+01 .116281362701E+01 .120159894086E+01 .124134337963E+01
|
|
1403
|
-
.128211930505E+01 .132396733160E+01 .136687438004E+01 .141074933419E+01
|
|
1404
|
-
ae wavefunction
|
|
1405
|
-
.452252953273E-08 .483586772296E-08 .516589829978E-08 .551374988886E-08 .588061610802E-08
|
|
1406
|
-
.626776015827E-08 .667651957340E-08 .710831112906E-08 .756463638927E-08 .804708717138E-08
|
|
1407
|
-
.855735171525E-08 .909722108776E-08 .966859593416E-08 .102734938036E-07 .109140568164E-07
|
|
1408
|
-
.115925599260E-07 .123114196846E-07 .130732034122E-07 .138806393937E-07 .147366268140E-07
|
|
1409
|
-
.156442479731E-07 .166067792178E-07 .176277044458E-07 .187107284680E-07 .198597905899E-07
|
|
1410
|
-
.210790817567E-07 .223730593590E-07 .237464657478E-07 .252043460653E-07 .267520687727E-07
|
|
1411
|
-
.283953456160E-07 .301402556367E-07 .319932684087E-07 .339612694033E-07 .360515874213E-07
|
|
1412
|
-
.382720239179E-07 .406308833320E-07 .431370063934E-07 .457998053727E-07 .486293008803E-07
|
|
1413
|
-
.516361624808E-07 .548317505536E-07 .582281625112E-07 .618382797521E-07 .656758199850E-07
|
|
1414
|
-
.697553918333E-07 .740925534373E-07 .787038742901E-07 .836070019269E-07 .888207325608E-07
|
|
1415
|
-
.943650862849E-07 .100261387961E-06 .106532352175E-06 .113202174645E-06 .120296629543E-06
|
|
1416
|
-
.127843174021E-06 .135871056906E-06 .144411437669E-06 .153497511949E-06 .163164644412E-06
|
|
1417
|
-
.173450513226E-06 .184395258318E-06 .196041648789E-06 .208435250200E-06 .221624611646E-06
|
|
1418
|
-
.235661460128E-06 .250600912258E-06 .266501693358E-06 .283426377212E-06 .301441638958E-06
|
|
1419
|
-
.320618524071E-06 .341032735626E-06 .362764942377E-06 .385901102922E-06 .410532814926E-06
|
|
1420
|
-
.436757686883E-06 .464679731640E-06 .494409789560E-06 .526065976059E-06 .559774161391E-06
|
|
1421
|
-
.595668479718E-06 .633891875107E-06 .674596677303E-06 .717945222719E-06 .764110511084E-06
|
|
1422
|
-
.813276907321E-06 .865640890257E-06 .921411846102E-06 .980812922678E-06 .104408193064E-05
|
|
1423
|
-
.111147231104E-05 .118325415941E-05 .125971532508E-05 .134116257992E-05 .142792285657E-05
|
|
1424
|
-
.152034458268E-05 .161879908727E-05 .172368211236E-05 .183541541536E-05 .195444847795E-05
|
|
1425
|
-
.208126033405E-05 .221636150773E-05 .236029608724E-05 .251364392708E-05 .267702300306E-05
|
|
1426
|
-
.285109191488E-05 .303655255266E-05 .323415295155E-05 .344469030981E-05 .366901422781E-05
|
|
1427
|
-
.390803014572E-05 .416270301218E-05 .443406118860E-05 .472320061925E-05 .503128925507E-05
|
|
1428
|
-
.535957179098E-05 .570937469996E-05 .608211158658E-05 .647928891981E-05 .690251210808E-05
|
|
1429
|
-
.735349199365E-05 .783405176541E-05 .834613431569E-05 .889181008705E-05 .947328542805E-05
|
|
1430
|
-
.100929114942E-04 .107531937259E-04 .114568019510E-04 .122065811409E-04 .130055628659E-04
|
|
1431
|
-
.138569774984E-04 .147642672215E-04 .157310998529E-04 .167613836037E-04 .178592827792E-04
|
|
1432
|
-
.190292344858E-04 .202759664481E-04 .216045159673E-04 .230202501052E-04 .245288871942E-04
|
|
1433
|
-
.261365197056E-04 .278496386459E-04 .296751594833E-04 .316204497687E-04 .336933585539E-04
|
|
1434
|
-
.359022476800E-04 .382560251055E-04 .407641803690E-04 .434368223324E-04 .462847193583E-04
|
|
1435
|
-
.493193420697E-04 .525529088336E-04 .559984341939E-04 .596697803761E-04 .635817120988E-04
|
|
1436
|
-
.677499548965E-04 .721912571516E-04 .769234560885E-04 .819655479730E-04 .873377627707E-04
|
|
1437
|
-
.930616435580E-04 .991601309591E-04 .105657652945E-03 .112580220303E-03 .119955528149E-03
|
|
1438
|
-
.127813063836E-03 .136184221656E-03 .145102424763E-03 .154603254734E-03 .164724589282E-03
|
|
1439
|
-
.175506748542E-03 .186992650504E-03 .199227976164E-03 .212261344870E-03 .226144500658E-03
|
|
1440
|
-
.240932510005E-03 .256683971894E-03 .273461240787E-03 .291330663310E-03 .310362829467E-03
|
|
1441
|
-
.330632839220E-03 .352220585329E-03 .375211053407E-03 .399694640189E-03 .425767491022E-03
|
|
1442
|
-
.453531857766E-03 .483096478138E-03 .514576977826E-03 .548096296614E-03 .583785139814E-03
|
|
1443
|
-
.621782456511E-03 .662235945972E-03 .705302593893E-03 .751149240001E-03 .799953178756E-03
|
|
1444
|
-
.851902794907E-03 .907198235788E-03 .966052122165E-03 .102869029985E-02 .109535263394E-02
|
|
1445
|
-
.116629384810E-02 .124178441090E-02 .132211147185E-02 .140757984933E-02 .149851307305E-02
|
|
1446
|
-
.159525448367E-02 .169816839226E-02 .180764130249E-02 .192408319799E-02 .204792889868E-02
|
|
1447
|
-
.217963948828E-02 .231970381627E-02 .246864007814E-02 .262699747611E-02 .279535796460E-02
|
|
1448
|
-
.297433808294E-02 .316459087957E-02 .336680793034E-02 .358172145475E-02 .381010653361E-02
|
|
1449
|
-
.405278343130E-02 .431062002629E-02 .458453435275E-02 .487549725745E-02 .518453517392E-02
|
|
1450
|
-
.551273301807E-02 .586123720758E-02 .623125880738E-02 .662407680570E-02 .704104151970E-02
|
|
1451
|
-
.748357813647E-02 .795319038825E-02 .845146436433E-02 .898007246135E-02 .954077747084E-02
|
|
1452
|
-
.101354368059E-01 .107660068647E-01 .114345475319E-01 .121432268135E-01 .128943256060E-01
|
|
1453
|
-
.136902425936E-01 .145334992714E-01 .154267450891E-01 .163727627093E-01 .173744733746E-01
|
|
1454
|
-
.184349423731E-01 .195573845963E-01 .207451701807E-01 .220018302100E-01 .233310624890E-01
|
|
1455
|
-
.247367373457E-01 .262229034711E-01 .277937937664E-01 .294538311858E-01 .312076345433E-01
|
|
1456
|
-
.330600242870E-01 .350160281885E-01 .370808869418E-01 .392600596418E-01 .415592291128E-01
|
|
1457
|
-
.439843070560E-01 .465414389886E-01 .492370089420E-01 .520776438735E-01 .550702177812E-01
|
|
1458
|
-
.582218554459E-01 .615399357924E-01 .650320948184E-01 .687062280356E-01 .725704923886E-01
|
|
1459
|
-
.766333076069E-01 .809033569293E-01 .853895871451E-01 .901012079175E-01 .950476903145E-01
|
|
1460
|
-
.100238764479E+00 .105684416423E+00 .111394883800E+00 .117380650682E+00 .123652441211E+00
|
|
1461
|
-
.130221212065E+00 .137098143692E+00 .144294630228E+00 .151822268004E+00 .159692842645E+00
|
|
1462
|
-
.167918314609E+00 .176510803198E+00 .185482568931E+00 .194845994290E+00 .204613562819E+00
|
|
1463
|
-
.214797836556E+00 .225411431926E+00 .236466994058E+00 .247977169783E+00 .259954579422E+00
|
|
1464
|
-
.272411787661E+00 .285361273867E+00 .298815402277E+00 .312786392651E+00 .327286292071E+00
|
|
1465
|
-
.342326948692E+00 .357919988481E+00 .374076795955E+00 .390808500234E+00 .408125967487E+00
|
|
1466
|
-
.426039801156E+00 .444560345461E+00 .463697672886E+00 .483461635521E+00 .503861903245E+00
|
|
1467
|
-
.524908006098E+00 .546609374958E+00 .568975375345E+00 .592015323232E+00 .615738468318E+00
|
|
1468
|
-
.640153926238E+00 .665270537522E+00 .691096628653E+00 .717639650964E+00 .744905678768E+00
|
|
1469
|
-
.772898762725E+00 .801620162692E+00 .831067532318E+00 .861234203050E+00 .892108829588E+00
|
|
1470
|
-
.923675827061E+00 .955917266332E+00 .988817177487E+00 .102236942563E+01 .105659014769E+01
|
|
1471
|
-
.109153445626E+01 .112731318871E+01 .116409648840E+01 .120207974530E+01 .124140008989E+01
|
|
1472
|
-
.128205823650E+01 .132393367952E+01 .136687231350E+01 .141074933419E+01
|
|
1473
|
-
pseudo wavefunction
|
|
1474
|
-
.170835449020E-08 .182126373622E-08 .194163542514E-08 .206996276770E-08 .220677157212E-08
|
|
1475
|
-
.235262239857E-08 .250811285596E-08 .267388005062E-08 .285060319677E-08 .303900639950E-08
|
|
1476
|
-
.323986162178E-08 .345399184742E-08 .368227445325E-08 .392564480400E-08 .418510008492E-08
|
|
1477
|
-
.446170338761E-08 .475658806594E-08 .507096237986E-08 .540611444613E-08 .576341751621E-08
|
|
1478
|
-
.614433560306E-08 .655042947974E-08 .698336307456E-08 .744491028884E-08 .793696226528E-08
|
|
1479
|
-
.846153513673E-08 .902077828710E-08 .961698315822E-08 .102525926388E-07 .109302110739E-07
|
|
1480
|
-
.116526149360E-07 .124227642014E-07 .132438144780E-07 .141191299358E-07 .150522970905E-07
|
|
1481
|
-
.160471394993E-07 .171077334276E-07 .182384245508E-07 .194438457602E-07 .207289361464E-07
|
|
1482
|
-
.220989612360E-07 .235595345668E-07 .251166406888E-07 .267766596853E-07 .285463933144E-07
|
|
1483
|
-
.304330928788E-07 .324444889368E-07 .345888229781E-07 .368748811918E-07 .393120304674E-07
|
|
1484
|
-
.419102567744E-07 .446802060786E-07 .476332279633E-07 .507814221326E-07 .541376879890E-07
|
|
1485
|
-
.577157774869E-07 .615303514802E-07 .655970397934E-07 .699325052632E-07 .745545120126E-07
|
|
1486
|
-
.794819982377E-07 .847351538046E-07 .903355029754E-07 .963059926018E-07 .102671086147E-06
|
|
1487
|
-
.109456863921E-06 .116691129946E-06 .124403525873E-06 .132625652442E-06 .141391198961E-06
|
|
1488
|
-
.150736081341E-06 .160698589260E-06 .171319543050E-06 .182642460956E-06 .194713737441E-06
|
|
1489
|
-
.207582833290E-06 .221302478263E-06 .235928887151E-06 .251521990112E-06 .268145678224E-06
|
|
1490
|
-
.285868065275E-06 .304761766846E-06 .324904197848E-06 .346377889720E-06 .369270828587E-06
|
|
1491
|
-
.393676815778E-06 .419695852161E-06 .447434547882E-06 .477006559190E-06 .508533054125E-06
|
|
1492
|
-
.542143208990E-06 .577974737627E-06 .616174455688E-06 .656898882185E-06 .700314880803E-06
|
|
1493
|
-
.746600343603E-06 .795944919904E-06 .848550793342E-06 .904633510282E-06 .964422862989E-06
|
|
1494
|
-
.102816383116E-05 .109611758567E-05 .116856255872E-05 .124579558459E-05 .132813311593E-05
|
|
1495
|
-
.141591252031E-05 .150949346255E-05 .160925937836E-05 .171561904538E-05 .182900825804E-05
|
|
1496
|
-
.194989161318E-05 .207876441357E-05 .221615469729E-05 .236262540126E-05 .251877666772E-05
|
|
1497
|
-
.268524830312E-05 .286272239955E-05 .305192612939E-05 .325363472471E-05 .346867465347E-05
|
|
1498
|
-
.369792700572E-05 .394233110352E-05 .420288834947E-05 .448066632957E-05 .477680318714E-05
|
|
1499
|
-
.509251228593E-05 .542908718128E-05 .578790691982E-05 .617044168942E-05 .657825884249E-05
|
|
1500
|
-
.701302931729E-05 .747653448361E-05 .797067344081E-05 .849747079806E-05 .905908496880E-05
|
|
1501
|
-
.965781701317E-05 .102961200648E-04 .109766093805E-04 .117020730540E-04 .124754834372E-04
|
|
1502
|
-
.133000093171E-04 .141790288959E-04 .151161436299E-04 .161151929817E-04 .171802701483E-04
|
|
1503
|
-
.183157388269E-04 .195262510891E-04 .208167664362E-04 .221925721125E-04 .236593047608E-04
|
|
1504
|
-
.252229735087E-04 .268899845797E-04 .286671675290E-04 .305618032138E-04 .325816536095E-04
|
|
1505
|
-
.347349935954E-04 .370306448402E-04 .394780119238E-04 .420871208457E-04 .448686600752E-04
|
|
1506
|
-
.478340243117E-04 .509953611348E-04 .543656207332E-04 .579586089167E-04 .617890436268E-04
|
|
1507
|
-
.658726151769E-04 .702260504679E-04 .748671814411E-04 .798150180473E-04 .850898260298E-04
|
|
1508
|
-
.907132098377E-04 .967082010079E-04 .103099352375E-03 .109912838495E-03 .117176562684E-03
|
|
1509
|
-
.124920271116E-03 .133175674444E-03 .141976577421E-03 .151359017077E-03 .161361409979E-03
|
|
1510
|
-
.172024709202E-03 .183392571623E-03 .195511536229E-03 .208431214154E-03 .222204491220E-03
|
|
1511
|
-
.236887743783E-03 .252541068781E-03 .269228528889E-03 .287018413769E-03 .305983518487E-03
|
|
1512
|
-
.326201440179E-03 .347754894197E-03 .370732050959E-03 .395226894884E-03 .421339606823E-03
|
|
1513
|
-
.449176971517E-03 .478852811704E-03 .510488450593E-03 .544213204535E-03 .580164907846E-03
|
|
1514
|
-
.618490471840E-03 .659346480269E-03 .702899823511E-03 .749328373982E-03 .798821705386E-03
|
|
1515
|
-
.851581858622E-03 .907824157277E-03 .967778075875E-03 .103168816418E-02 .109981503111E-02
|
|
1516
|
-
.117243639196E-02 .124984818294E-02 .133236574714E-02 .142032509645E-02 .151408425397E-02
|
|
1517
|
-
.161402468201E-02 .172055280076E-02 .183410160318E-02 .195513237197E-02 .208413650458E-02
|
|
1518
|
-
.222163745279E-02 .236819278358E-02 .252439636833E-02 .269088070776E-02 .286831940049E-02
|
|
1519
|
-
.305742976314E-02 .325897561053E-02 .347377020487E-02 .370267938293E-02 .394662487069E-02
|
|
1520
|
-
.420658779544E-02 .448361240523E-02 .477881000605E-02 .509336312749E-02 .542852992754E-02
|
|
1521
|
-
.578564884742E-02 .616614352751E-02 .657152799537E-02 .700341213656E-02 .746350745896E-02
|
|
1522
|
-
.795363316085E-02 .847572251229E-02 .903182955892E-02 .962413615587E-02 .102549593388E-01
|
|
1523
|
-
.109267590367E-01 .116421461304E-01 .124038908568E-01 .132149315572E-01 .140783837648E-01
|
|
1524
|
-
.149975496203E-01 .159759276037E-01 .170172225600E-01 .181253559940E-01 .193044765987E-01
|
|
1525
|
-
.205589709751E-01 .218934744886E-01 .233128821972E-01 .248223597711E-01 .264273543087E-01
|
|
1526
|
-
.281336049349E-01 .299471530459E-01 .318743520428E-01 .339218763674E-01 .360967296218E-01
|
|
1527
|
-
.384062515213E-01 .408581233857E-01 .434603718331E-01 .462213702865E-01 .491498378477E-01
|
|
1528
|
-
.522548350275E-01 .555457557500E-01 .590323149669E-01 .627245311295E-01 .666327026625E-01
|
|
1529
|
-
.707673774772E-01 .751393144341E-01 .797594355329E-01 .846387674564E-01 .897883709341E-01
|
|
1530
|
-
.952192562117E-01 .100942282722E+00 .106968040843E+00 .113306713409E+00 .119967914402E+00
|
|
1531
|
-
.126960501997E+00 .134292362888E+00 .141970164522E+00 .149999071629E+00 .158382423137E+00
|
|
1532
|
-
.167121365285E+00 .176214436520E+00 .185657099507E+00 .195441215387E+00 .205554455299E+00
|
|
1533
|
-
.215979644066E+00 .226694031018E+00 .237668482989E+00 .248866594885E+00 .260243713594E+00
|
|
1534
|
-
.271745871756E+00 .283308628796E+00 .294855817864E+00 .306298198928E+00 .317532020218E+00
|
|
1535
|
-
.328437492671E+00 .338877184916E+00 .348694349810E+00 .357711197512E+00 .365727134669E+00
|
|
1536
|
-
.372516994381E+00 .377829287251E+00 .381384509856E+00 .382873553302E+00 .381956260952E+00
|
|
1537
|
-
.378260190655E+00 .371379642586E+00 .360875018677E+00 .346272583203E+00 .327064695823E+00
|
|
1538
|
-
.302710587928E+00 .272637750057E+00 .236243992284E+00 .192900231059E+00 .141954045711E+00
|
|
1539
|
-
.827340372439E-01 .145550138022E-01 -.632759746139E-01 -.151452719063E+00 -.250661988056E+00
|
|
1540
|
-
-.361574591335E+00 -.484835139139E+00 -.621050100647E+00 -.770773526353E+00 -.934489471198E+00
|
|
1541
|
-
-.111258972797E+01 -.130534495313E+01 -.151286665574E+01 -.173506014818E+01
|
|
1542
|
-
ae wavefunction
|
|
1543
|
-
.622700456441E-08 .665843951129E-08 .711285811022E-08 .759181436845E-08 .809695178100E-08
|
|
1544
|
-
.863000965211E-08 .919282963505E-08 .978736249135E-08 .104156757279E-07 .110799611217E-07
|
|
1545
|
-
.117825432142E-07 .125258881298E-07 .133126128716E-07 .141454954082E-07 .150274852310E-07
|
|
1546
|
-
.159617147294E-07 .169515112614E-07 .180004097771E-07 .191121668605E-07 .202907744086E-07
|
|
1547
|
-
.215404764499E-07 .228657841979E-07 .242714946431E-07 .257627089531E-07 .273448511721E-07
|
|
1548
|
-
.290236918285E-07 .308053683208E-07 .326964104111E-07 .347037647764E-07 .368348232734E-07
|
|
1549
|
-
.390974504301E-07 .415000165054E-07 .440514294846E-07 .467611700051E-07 .496393291267E-07
|
|
1550
|
-
.526966487105E-07 .559445631788E-07 .593952453761E-07 .630616551052E-07 .669575897957E-07
|
|
1551
|
-
.710977404264E-07 .754977491633E-07 .801742729981E-07 .851450483980E-07 .904289633510E-07
|
|
1552
|
-
.960461325512E-07 .102017978089E-06 .108367314592E-06 .115118441053E-06 .122297238086E-06
|
|
1553
|
-
.129931271472E-06 .138049903538E-06 .146684410131E-06 .155868106479E-06 .165636481192E-06
|
|
1554
|
-
.176027340188E-06 .187080956352E-06 .198840233349E-06 .211350878456E-06 .224661585497E-06
|
|
1555
|
-
.238824233771E-06 .253894092193E-06 .269930049797E-06 .286994846087E-06 .305155328609E-06
|
|
1556
|
-
.324482720591E-06 .345052912436E-06 .366946763400E-06 .390250431712E-06 .415055722779E-06
|
|
1557
|
-
.441460459551E-06 .469568878051E-06 .499492051580E-06 .531348337052E-06 .565263855840E-06
|
|
1558
|
-
.601373005665E-06 .639819002434E-06 .680754462894E-06 .724342020853E-06 .770754987787E-06
|
|
1559
|
-
.820178053794E-06 .872808039364E-06 .928854688171E-06 .988541522110E-06 .105210674544E-05
|
|
1560
|
-
.111980421120E-05 .119190445211E-05 .126869577309E-05 .135048542749E-05 .143760085793E-05
|
|
1561
|
-
.153039102859E-05 .162922783521E-05 .173450761880E-05 .184665277480E-05 .196611345808E-05
|
|
1562
|
-
.209336941996E-05 .222893194471E-05 .237334593082E-05 .252719209734E-05 .269108933686E-05
|
|
1563
|
-
.286569723238E-05 .305171872564E-05 .324990297273E-05 .346104837623E-05 .368600582774E-05
|
|
1564
|
-
.392568215368E-05 .418104378679E-05 .445312069660E-05 .474301054493E-05 .505188314560E-05
|
|
1565
|
-
.538098519768E-05 .573164533680E-05 .610527951088E-05 .650339672176E-05 .692760511617E-05
|
|
1566
|
-
.737961850840E-05 .786126331147E-05 .837448590818E-05 .892136054438E-05 .950409769336E-05
|
|
1567
|
-
.101250529976E-04 .107867367866E-04 .114918242059E-04 .122431660211E-04 .130438001220E-04
|
|
1568
|
-
.138969637775E-04 .148061066855E-04 .157749048817E-04 .168072755488E-04 .179073927881E-04
|
|
1569
|
-
.190797044213E-04 .203289498993E-04 .216601793360E-04 .230787738265E-04 .245904670636E-04
|
|
1570
|
-
.262013683397E-04 .279179870747E-04 .297472589181E-04 .316965735351E-04 .337738042202E-04
|
|
1571
|
-
.359873393793E-04 .383461161153E-04 .408596559200E-04 .435381026980E-04 .463922632643E-04
|
|
1572
|
-
.494336504161E-04 .526745288110E-04 .561279637837E-04 .598078733008E-04 .637290832650E-04
|
|
1573
|
-
.679073863731E-04 .723596047220E-04 .771036564725E-04 .821586267401E-04 .875448430350E-04
|
|
1574
|
-
.932839555322E-04 .993990224451E-04 .105914600849E-03 .112856843289E-03 .120253600519E-03
|
|
1575
|
-
.128134530780E-03 .136531215988E-03 .145477285292E-03 .155008546440E-03 .165163125431E-03
|
|
1576
|
-
.175981614989E-03 .187507232339E-03 .199785986943E-03 .212866858705E-03 .226801987388E-03
|
|
1577
|
-
.241646873804E-03 .257460593574E-03 .274306024220E-03 .292250086270E-03 .311363999443E-03
|
|
1578
|
-
.331723554494E-03 .353409401971E-03 .376507358660E-03 .401108732850E-03 .427310669507E-03
|
|
1579
|
-
.455216516517E-03 .484936213192E-03 .516586702384E-03 .550292367498E-03 .586185495843E-03
|
|
1580
|
-
.624406769889E-03 .665105787843E-03 .708441615347E-03 .754583369968E-03 .803710840236E-03
|
|
1581
|
-
.856015141258E-03 .911699408721E-03 .970979533548E-03 .103408493922E-02 .110125940412E-02
|
|
1582
|
-
.117276193122E-02 .124886766763E-02 .132986887646E-02 .141607596375E-02 .150781856322E-02
|
|
1583
|
-
.160544668170E-02 .170933190808E-02 .181986868915E-02 .193747567508E-02 .206259713817E-02
|
|
1584
|
-
.219570446798E-02 .233729774632E-02 .248790740588E-02 .264809597526E-02 .281845991536E-02
|
|
1585
|
-
.299963154970E-02 .319228109250E-02 .339711877937E-02 .361489710275E-02 .384641315736E-02
|
|
1586
|
-
.409251109807E-02 .435408471522E-02 .463208012964E-02 .492749861157E-02 .524139952678E-02
|
|
1587
|
-
.557490341257E-02 .592919518703E-02 .630552749332E-02 .670522418231E-02 .712968393393E-02
|
|
1588
|
-
.758038401987E-02 .805888420764E-02 .856683080522E-02 .910596084865E-02 .967810642602E-02
|
|
1589
|
-
.102851991408E-01 .109292747069E-01 .116124776720E-01 .123370662641E-01 .131054173508E-01
|
|
1590
|
-
.139200315051E-01 .147835381628E-01 .156987008616E-01 .166684225427E-01 .176957508992E-01
|
|
1591
|
-
.187838837468E-01 .199361743956E-01 .211561369926E-01 .224474518028E-01 .238139703949E-01
|
|
1592
|
-
.252597206880E-01 .267889118133E-01 .284059387476E-01 .301153866383E-01 .319220347925E-01
|
|
1593
|
-
.338308602154E-01 .358470406546E-01 .379759570396E-01 .402231952322E-01 .425945469578E-01
|
|
1594
|
-
.450960098355E-01 .477337863329E-01 .505142815244E-01 .534440994887E-01 .565300381650E-01
|
|
1595
|
-
.597790824722E-01 .631983954799E-01 .667953073996E-01 .705773021220E-01 .745520010518E-01
|
|
1596
|
-
.787271438802E-01 .831105659970E-01 .877101721580E-01 .925339059824E-01 .975897148510E-01
|
|
1597
|
-
.102885509720E+00 .108429119303E+00 .114228238034E+00 .120290367199E+00 .126622748525E+00
|
|
1598
|
-
.133232289454E+00 .140125479338E+00 .147308295566E+00 .154786098762E+00 .162563515927E+00
|
|
1599
|
-
.170644310414E+00 .179031237523E+00 .187725884406E+00 .196728492816E+00 .206037763294E+00
|
|
1600
|
-
.215650639069E+00 .225562068069E+00 .235764741156E+00 .246248804758E+00 .257001545881E+00
|
|
1601
|
-
.268007047421E+00 .279245811759E+00 .290694350316E+00 .302324737036E+00 .314104123509E+00
|
|
1602
|
-
.325994213616E+00 .337950695637E+00 .349922629816E+00 .361851789623E+00 .373671955133E+00
|
|
1603
|
-
.385308157163E+00 .396675871267E+00 .407680160895E+00 .418214769636E+00 .428161162652E+00
|
|
1604
|
-
.437387518217E+00 .445747662729E+00 .453079945241E+00 .459206099424E+00 .463930067077E+00
|
|
1605
|
-
.467036765722E+00 .468290824114E+00 .467435287346E+00 .464190300348E+00 .458251781233E+00
|
|
1606
|
-
.449290102251E+00 .436948805273E+00 .420843392046E+00 .400560247993E+00 .375655782800E+00
|
|
1607
|
-
.345655901222E+00 .310055951117E+00 .268321327150E+00 .219888927015E+00 .164169644858E+00
|
|
1608
|
-
.100552014639E+00 .284069386759E-01 -.529069121404E-01 -.144038014878E+00 -.245638956177E+00
|
|
1609
|
-
-.358367634729E+00 -.482893686010E+00 -.619904854981E+00 -.770093712684E+00 -.934097141942E+00
|
|
1610
|
-
-.111240183896E+01 -.130529133784E+01 -.151286410471E+01 -.173506014818E+01
|
|
1611
|
-
End of Dataset
|
|
1612
|
-
PAW_GGA N 31May2000
|
|
1613
|
-
5.00000000000000000
|
|
1614
|
-
parameters from PSCTR are:
|
|
1615
|
-
VRHFIN =N: s2p3
|
|
1616
|
-
LEXCH = 91
|
|
1617
|
-
EATOM = 265.0126 eV, 19.4779 Ry
|
|
1618
|
-
|
|
1619
|
-
TITEL = PAW_GGA N 31May2000
|
|
1620
|
-
LULTRA = F use ultrasoft PP ?
|
|
1621
|
-
IUNSCR = 0 unscreen: 0-lin 1-nonlin 2-no
|
|
1622
|
-
RPACOR = .000 partial core radius
|
|
1623
|
-
POMASS = 14.001; ZVAL = 5.000 mass and valenz
|
|
1624
|
-
RCORE = 1.500 outmost cutoff radius
|
|
1625
|
-
RWIGS = 1.400; RWIGS = .741 wigner-seitz radius (au A)
|
|
1626
|
-
ENMAX = 400.000; ENMIN = 300.000 eV
|
|
1627
|
-
ICORE = 2 local potential
|
|
1628
|
-
LCOR = T correct aug charges
|
|
1629
|
-
LPAW = T paw PP
|
|
1630
|
-
EAUG = 555.011
|
|
1631
|
-
DEXC = .000
|
|
1632
|
-
RMAX = 2.247 core radius for proj-oper
|
|
1633
|
-
RAUG = 1.300 factor for augmentation sphere
|
|
1634
|
-
RDEP = 1.514 core radius for depl-charge
|
|
1635
|
-
QCUT = -5.562; QGAM = 11.124 optimization parameters
|
|
1636
|
-
|
|
1637
|
-
Description
|
|
1638
|
-
l E TYP RCUT TYP RCUT
|
|
1639
|
-
0 .000 23 1.200
|
|
1640
|
-
0 .000 23 1.200
|
|
1641
|
-
1 .000 23 1.500
|
|
1642
|
-
1 .700 23 1.500
|
|
1643
|
-
2 .000 7 1.500
|
|
1644
|
-
Error from kinetic energy argument (eV)
|
|
1645
|
-
NDATA = 100
|
|
1646
|
-
STEP = 20.000 1.050
|
|
1647
|
-
106. 104. 102. 99.8 98.5 95.8 93.0 91.7
|
|
1648
|
-
88.9 86.1 84.8 82.0 79.3 76.6 73.9 71.2
|
|
1649
|
-
68.6 66.0 63.5 59.8 57.4 55.0 51.6 49.4
|
|
1650
|
-
47.3 44.2 41.3 39.4 36.7 34.1 31.7 29.4
|
|
1651
|
-
27.2 25.1 23.2 21.4 19.1 17.5 15.6 14.2
|
|
1652
|
-
12.6 11.1 9.74 8.52 7.42 6.44 5.57 4.61
|
|
1653
|
-
3.94 3.22 2.61 2.19 1.74 1.38 1.02 .786
|
|
1654
|
-
.598 .423 .293 .199 .133 .870E-01 .565E-01 .346E-01
|
|
1655
|
-
.237E-01 .169E-01 .137E-01 .123E-01 .115E-01 .109E-01 .998E-02 .873E-02
|
|
1656
|
-
.731E-02 .587E-02 .443E-02 .341E-02 .258E-02 .206E-02 .175E-02 .162E-02
|
|
1657
|
-
.152E-02 .141E-02 .126E-02 .105E-02 .835E-03 .642E-03 .501E-03 .413E-03
|
|
1658
|
-
.378E-03 .370E-03 .360E-03 .334E-03 .282E-03 .225E-03 .171E-03 .136E-03
|
|
1659
|
-
.120E-03 .117E-03 .116E-03 .108E-03
|
|
1660
|
-
END of PSCTR-controll parameters
|
|
1661
|
-
local part
|
|
1662
|
-
124.721915246208937
|
|
1663
|
-
.21352954E+02 .21353308E+02 .21349844E+02 .21344062E+02 .21335948E+02
|
|
1664
|
-
.21325489E+02 .21312664E+02 .21297458E+02 .21279851E+02 .21259830E+02
|
|
1665
|
-
.21237380E+02 .21212492E+02 .21185158E+02 .21155371E+02 .21123125E+02
|
|
1666
|
-
.21088411E+02 .21051222E+02 .21011544E+02 .20969359E+02 .20924646E+02
|
|
1667
|
-
.20877377E+02 .20827518E+02 .20775033E+02 .20719880E+02 .20662012E+02
|
|
1668
|
-
.20601379E+02 .20537930E+02 .20471608E+02 .20402357E+02 .20330116E+02
|
|
1669
|
-
.20254822E+02 .20176410E+02 .20094810E+02 .20009951E+02 .19921760E+02
|
|
1670
|
-
.19830159E+02 .19735068E+02 .19636407E+02 .19534092E+02 .19428040E+02
|
|
1671
|
-
.19318166E+02 .19204388E+02 .19086623E+02 .18964789E+02 .18838811E+02
|
|
1672
|
-
.18708612E+02 .18574122E+02 .18435276E+02 .18292012E+02 .18144277E+02
|
|
1673
|
-
.17992023E+02 .17835209E+02 .17673803E+02 .17507781E+02 .17337129E+02
|
|
1674
|
-
.17161843E+02 .16981928E+02 .16797403E+02 .16608294E+02 .16414644E+02
|
|
1675
|
-
.16216506E+02 .16013945E+02 .15807041E+02 .15595888E+02 .15380592E+02
|
|
1676
|
-
.15161275E+02 .14938072E+02 .14711131E+02 .14480616E+02 .14246702E+02
|
|
1677
|
-
.14009581E+02 .13769453E+02 .13526537E+02 .13281057E+02 .13033255E+02
|
|
1678
|
-
.12783380E+02 .12531693E+02 .12278463E+02 .12023970E+02 .11768501E+02
|
|
1679
|
-
.11512349E+02 .11255815E+02 .10999203E+02 .10742822E+02 .10486983E+02
|
|
1680
|
-
.10232001E+02 .99781893E+01 .97258605E+01 .94753266E+01 .92268958E+01
|
|
1681
|
-
.89808725E+01 .87375557E+01 .84972377E+01 .82602032E+01 .80267284E+01
|
|
1682
|
-
.77970793E+01 .75715112E+01 .73502674E+01 .71335786E+01 .69216617E+01
|
|
1683
|
-
.67147192E+01 .65129382E+01 .63164902E+01 .61255300E+01 .59401956E+01
|
|
1684
|
-
.57606073E+01 .55868678E+01 .54190617E+01 .52572554E+01 .51014967E+01
|
|
1685
|
-
.49518154E+01 .48082226E+01 .46707117E+01 .45392579E+01 .44138192E+01
|
|
1686
|
-
.42943363E+01 .41807334E+01 .40729189E+01 .39707855E+01 .38742116E+01
|
|
1687
|
-
.37830615E+01 .36971868E+01 .36164267E+01 .35406093E+01 .34695525E+01
|
|
1688
|
-
.34030652E+01 .33409480E+01 .32829946E+01 .32289925E+01 .31787247E+01
|
|
1689
|
-
.31319703E+01 .30885058E+01 .30481062E+01 .30105460E+01 .29756005E+01
|
|
1690
|
-
.29430465E+01 .29126634E+01 .28842344E+01 .28575473E+01 .28323953E+01
|
|
1691
|
-
.28085778E+01 .27859015E+01 .27641808E+01 .27432384E+01 .27229064E+01
|
|
1692
|
-
.27030261E+01 .26834491E+01 .26640374E+01 .26446635E+01 .26252111E+01
|
|
1693
|
-
.26055751E+01 .25856615E+01 .25653876E+01 .25446821E+01 .25234849E+01
|
|
1694
|
-
.25017467E+01 .24794293E+01 .24565046E+01 .24329550E+01 .24087725E+01
|
|
1695
|
-
.23839585E+01 .23585230E+01 .23324847E+01 .23058696E+01 .22787113E+01
|
|
1696
|
-
.22510495E+01 .22229300E+01 .21944040E+01 .21655270E+01 .21363585E+01
|
|
1697
|
-
.21069613E+01 .20774006E+01 .20477435E+01 .20180584E+01 .19884142E+01
|
|
1698
|
-
.19588798E+01 .19295232E+01 .19004116E+01 .18716101E+01 .18431817E+01
|
|
1699
|
-
.18151865E+01 .17876817E+01 .17607207E+01 .17343530E+01 .17086240E+01
|
|
1700
|
-
.16835744E+01 .16592404E+01 .16356531E+01 .16128387E+01 .15908183E+01
|
|
1701
|
-
.15696077E+01 .15492177E+01 .15296540E+01 .15109172E+01 .14930030E+01
|
|
1702
|
-
.14759024E+01 .14596019E+01 .14440836E+01 .14293254E+01 .14153016E+01
|
|
1703
|
-
.14019828E+01 .13893367E+01 .13773280E+01 .13659187E+01 .13550690E+01
|
|
1704
|
-
.13447371E+01 .13348801E+01 .13254537E+01 .13164132E+01 .13077137E+01
|
|
1705
|
-
.12993101E+01 .12911579E+01 .12832134E+01 .12754339E+01 .12677781E+01
|
|
1706
|
-
.12602063E+01 .12526808E+01 .12451661E+01 .12376290E+01 .12300389E+01
|
|
1707
|
-
.12223679E+01 .12145911E+01 .12066862E+01 .11986345E+01 .11904198E+01
|
|
1708
|
-
.11820295E+01 .11734538E+01 .11646861E+01 .11557230E+01 .11465639E+01
|
|
1709
|
-
.11372109E+01 .11276691E+01 .11179462E+01 .11080521E+01 .10979993E+01
|
|
1710
|
-
.10878020E+01 .10774767E+01 .10670410E+01 .10565146E+01 .10459178E+01
|
|
1711
|
-
.10352722E+01 .10246002E+01 .10139245E+01 .10032681E+01 .99265435E+00
|
|
1712
|
-
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1713
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1714
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1715
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1716
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1717
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1718
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1719
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1720
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1721
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1722
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1723
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1724
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1725
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1726
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1727
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1728
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1729
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1730
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1731
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1732
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1733
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1734
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1735
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1736
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1737
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1738
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1739
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1740
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1741
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1742
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1743
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1744
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1745
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1746
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1747
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1748
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1749
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1750
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1751
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1752
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1753
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1754
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1755
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1756
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1757
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1758
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1759
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1760
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1761
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1762
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1763
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1764
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1765
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1766
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1767
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1768
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1769
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1770
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1771
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1772
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1773
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1774
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1775
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1776
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1777
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1778
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1779
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1780
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1781
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-
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1782
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1783
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1784
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-
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1785
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-
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1786
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-
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1787
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-
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1788
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-
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1789
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-
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1790
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-
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1791
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1792
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1793
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-
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1794
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-
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1795
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-
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1796
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-
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1797
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-
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1798
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-
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1799
|
-
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|
1800
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-
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|
|
1801
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-
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1802
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1803
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1804
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1805
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1806
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-
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1807
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1808
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1809
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-
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1810
|
-
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1811
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-
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1812
|
-
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|
1813
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-
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1814
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-
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1815
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-
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|
1816
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-
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|
1817
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-
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|
|
1818
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-
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|
|
1819
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-
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|
1820
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-
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|
1821
|
-
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|
1822
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-
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|
1823
|
-
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|
1824
|
-
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|
1825
|
-
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|
1826
|
-
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|
|
1827
|
-
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|
|
1828
|
-
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|
|
1829
|
-
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|
|
1830
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-
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|
1831
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-
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|
|
1832
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-
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|
|
1833
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-
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|
1834
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-
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|
1835
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-
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|
|
1836
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-
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|
|
1837
|
-
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|
|
1838
|
-
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|
|
1839
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-
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|
|
1840
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-
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|
|
1841
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-
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|
|
1842
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-
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|
|
1843
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-
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|
|
1844
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-
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|
|
1845
|
-
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|
|
1846
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-
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|
|
1847
|
-
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|
|
1848
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-
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|
|
1849
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-
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|
|
1850
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-
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|
|
1851
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-
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|
|
1852
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-
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|
|
1853
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-
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|
|
1854
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-
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|
|
1855
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-
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|
|
1856
|
-
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|
|
1857
|
-
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|
|
1858
|
-
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|
|
1859
|
-
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|
|
1860
|
-
.60084470E-01 .59993170E-01 .59900450E-01 .59806040E-01 .59709691E-01
|
|
1861
|
-
.59611179E-01 .59510304E-01 .59406896E-01 .59300812E-01 .59191941E-01
|
|
1862
|
-
.59080203E-01 .58965550E-01 .58847967E-01 .58727471E-01 .58604108E-01
|
|
1863
|
-
gradient corrections used for XC
|
|
1864
|
-
4
|
|
1865
|
-
atomic pseudo charge-density
|
|
1866
|
-
.50000000E+01 .49905873E+01 .49625115E+01 .49162531E+01 .48525889E+01
|
|
1867
|
-
.47725603E+01 .46774301E+01 .45686353E+01 .44477352E+01 .43163620E+01
|
|
1868
|
-
.41761732E+01 .40288095E+01 .38758600E+01 .37188337E+01 .35591383E+01
|
|
1869
|
-
.33980668E+01 .32367883E+01 .30763453E+01 .29176546E+01 .27615108E+01
|
|
1870
|
-
.26085928E+01 .24594710E+01 .23146160E+01 .21744072E+01 .20391415E+01
|
|
1871
|
-
.19090418E+01 .17842652E+01 .16649107E+01 .15510261E+01 .14426145E+01
|
|
1872
|
-
.13396407E+01 .12420362E+01 .11497046E+01 .10625263E+01 .98036211E+00
|
|
1873
|
-
.90305757E+00 .83044603E+00 .76235177E+00 .69859268E+00 .63898257E+00
|
|
1874
|
-
.58333325E+00 .53145628E+00 .48316447E+00 .43827312E+00 .39660106E+00
|
|
1875
|
-
.35797150E+00 .32221265E+00 .28915823E+00 .25864787E+00 .23052736E+00
|
|
1876
|
-
.20464880E+00 .18087067E+00 .15905793E+00 .13908188E+00 .12082018E+00
|
|
1877
|
-
.10415669E+00 .88981338E-01 .75189991E-01 .62684246E-01 .51371259E-01
|
|
1878
|
-
.41163546E-01 .31978772E-01 .23739544E-01 .16373199E-01 .98115845E-02
|
|
1879
|
-
.39908531E-02 -.11487543E-02 -.56631126E-02 -.96044156E-02 -.13021372E-01
|
|
1880
|
-
-.15959396E-01 -.18460791E-01 -.20564924E-01 -.22308396E-01 -.23725202E-01
|
|
1881
|
-
-.24846884E-01 -.25702679E-01 -.26319658E-01 -.26722855E-01 -.26935396E-01
|
|
1882
|
-
-.26978616E-01 -.26872172E-01 -.26634153E-01 -.26281175E-01 -.25828482E-01
|
|
1883
|
-
-.25290035E-01 -.24678597E-01 -.24005815E-01 -.23282294E-01 -.22517672E-01
|
|
1884
|
-
-.21720682E-01 -.20899222E-01 -.20060411E-01 -.19210645E-01 -.18355651E-01
|
|
1885
|
-
-.17500534E-01 -.16649827E-01 -.15807531E-01 -.14977158E-01 -.14161768E-01
|
|
1886
|
-
-.13364006E-01 -.12586133E-01 -.11830062E-01 -.11097382E-01 -.10389390E-01
|
|
1887
|
-
-.97071154E-02 -.90513427E-02 -.84226358E-02 -.78213586E-02 -.72476945E-02
|
|
1888
|
-
-.67016646E-02 -.61831448E-02 -.56918819E-02 -.52275080E-02 -.47895545E-02
|
|
1889
|
-
-.43774645E-02 -.39906050E-02 -.36282773E-02 -.32897274E-02 -.29741553E-02
|
|
1890
|
-
-.26807236E-02 -.24085652E-02 -.21567906E-02 -.19244950E-02 -.17107636E-02
|
|
1891
|
-
-.15146778E-02 -.13353199E-02 -.11717776E-02 -.10231483E-02 -.88854250E-03
|
|
1892
|
-
-.76708738E-03 -.65792937E-03 -.56023679E-03 -.47320206E-03 -.39604354E-03
|
|
1893
|
-
-.32800716E-03 -.26836765E-03 -.21642968E-03 -.17152865E-03 -.13303127E-03
|
|
1894
|
-
-.10033598E-03 -.72873163E-04 -.50105148E-04 -.31526119E-04 -.16661819E-04
|
|
1895
|
-
-.50691510E-05 .36643560E-05 .99211844E-05 .14054567E-04 .16389314E-04
|
|
1896
|
-
.17222714E-04 .16825507E-04 .15442909E-04 .13295694E-04 .10581304E-04
|
|
1897
|
-
.74749986E-05 .41310265E-05 .68381036E-06 -.27508573E-05 -.60746161E-05
|
|
1898
|
-
-.92053441E-05 -.12075973E-04 -.14633320E-04 -.16836935E-04 -.18657976E-04
|
|
1899
|
-
-.20078114E-04 -.21088463E-04 -.21688555E-04 -.21885341E-04 -.21692247E-04
|
|
1900
|
-
-.21128265E-04 -.20217085E-04 -.18986284E-04 -.17466557E-04 -.15690998E-04
|
|
1901
|
-
-.13694427E-04 -.11512773E-04 -.91825018E-05 -.67400980E-05 -.42215900E-05
|
|
1902
|
-
-.16621284E-05 .90439016E-06 .34456524E-05 .59312134E-05 .83327372E-05
|
|
1903
|
-
.10624197E-04 .12782033E-04 .14785276E-04 .16615631E-04 .18257528E-04
|
|
1904
|
-
.19698144E-04 .20927390E-04 .21937878E-04 .22724853E-04 .23286114E-04
|
|
1905
|
-
.23621908E-04 .23734805E-04 .23629561E-04 .23312967E-04 .22793686E-04
|
|
1906
|
-
.22082081E-04 .21190035E-04 .20130772E-04 .18918662E-04 .17569044E-04
|
|
1907
|
-
.16098027E-04 .14522317E-04 .12859025E-04 .11125496E-04 .93391377E-05
|
|
1908
|
-
.75172583E-05 .56769104E-05 .38347470E-05 .20068865E-05 .20878802E-06
|
|
1909
|
-
-.15448612E-05 -.32402474E-05 -.48645192E-05 -.64058654E-05 -.78535792E-05
|
|
1910
|
-
-.91981112E-05 -.10431110E-04 -.11545449E-04 -.12535247E-04 -.13395871E-04
|
|
1911
|
-
-.14123931E-04 -.14717265E-04 -.15174916E-04 -.15497093E-04 -.15685133E-04
|
|
1912
|
-
-.15741447E-04 -.15669464E-04 -.15473566E-04 -.15159019E-04 -.14731902E-04
|
|
1913
|
-
-.14199023E-04 -.13567842E-04 -.12846385E-04 -.12043164E-04 -.11167084E-04
|
|
1914
|
-
-.10227360E-04 -.92334340E-05 -.81948868E-05 -.71213577E-05 -.60224637E-05
|
|
1915
|
-
-.49077233E-05 -.37864825E-05 -.26678453E-05 -.15606091E-05 -.47320368E-06
|
|
1916
|
-
.58636363E-06 .16105583E-05 .25923632E-05 .35253173E-05 .44035489E-05
|
|
1917
|
-
.52218032E-05 .59754636E-05 .66605675E-05 .72738164E-05 .78125803E-05
|
|
1918
|
-
.82748969E-05 .86594651E-05 .89656342E-05 .91933879E-05 .93433236E-05
|
|
1919
|
-
.94166283E-05 .94150503E-05 .93408673E-05 .91968515E-05 .89862324E-05
|
|
1920
|
-
.87126566E-05 .83801463E-05 .79930556E-05 .75560266E-05 .70739433E-05
|
|
1921
|
-
.65518870E-05 .59950895E-05 .54088886E-05 .47986830E-05 .41698888E-05
|
|
1922
|
-
.35278968E-05 .28780320E-05 .22255144E-05 .15754222E-05 .93265708E-06
|
|
1923
|
-
.30191233E-06 -.31235696E-06 -.90596040E-06 -.14749961E-05 -.20158714E-05
|
|
1924
|
-
-.25253207E-05 -.30004203E-05 -.34385994E-05 -.38376491E-05 -.41957276E-05
|
|
1925
|
-
-.45113628E-05 -.47834516E-05 -.50112567E-05 -.51944006E-05 -.53328575E-05
|
|
1926
|
-
-.54269414E-05 -.54772941E-05 -.54848688E-05 -.54509140E-05 -.53769537E-05
|
|
1927
|
-
-.52647679E-05 -.51163704E-05 -.49339864E-05 -.47200288E-05 -.44770738E-05
|
|
1928
|
-
-.42078367E-05 -.39151462E-05 -.36019200E-05 -.32711396E-05 -.29258258E-05
|
|
1929
|
-
-.25690147E-05 -.22037339E-05 -.18329806E-05 -.14596993E-05 -.10867615E-05
|
|
1930
|
-
-.71694658E-06 -.35292341E-06 .27659425E-08 .34772143E-06 .67969855E-06
|
|
1931
|
-
.99662022E-06 .12965871E-05 .15778863E-05 .18389979E-05 .20786007E-05
|
|
1932
|
-
.22955754E-05 .24890069E-05 .26581842E-05 .28025996E-05 .29219456E-05
|
|
1933
|
-
.30161113E-05 .30851764E-05 .31294050E-05 .31492370E-05 .31452802E-05
|
|
1934
|
-
.31182994E-05 .30692063E-05 .29990476E-05 .29089931E-05 .28003228E-05
|
|
1935
|
-
.26744142E-05 .25327286E-05 .23767975E-05 .22082091E-05 .20285949E-05
|
|
1936
|
-
.18396157E-05 .16429487E-05 .14402745E-05 .12332644E-05 .10235685E-05
|
|
1937
|
-
.81280400E-06 .60254453E-06 .39430984E-06 .18955629E-06 -.10331721E-07
|
|
1938
|
-
-.20404971E-06 -.39038003E-06 -.56819807E-06 -.73647741E-06 -.89429420E-06
|
|
1939
|
-
-.10408306E-05 -.11753772E-05 -.12973349E-05 -.14062153E-05 -.15016410E-05
|
|
1940
|
-
-.15833445E-05 -.16511667E-05 -.17050543E-05 -.17450566E-05 -.17713223E-05
|
|
1941
|
-
-.17840944E-05 -.17837059E-05 -.17705740E-05 -.17451944E-05 -.17081352E-05
|
|
1942
|
-
-.16600302E-05 -.16015724E-05 -.15335064E-05 -.14566220E-05 -.13717466E-05
|
|
1943
|
-
-.12797380E-05 -.11814772E-05 -.10778612E-05 -.96979628E-06 -.85819084E-06
|
|
1944
|
-
-.74394894E-06 -.62796393E-06 -.51111240E-06 -.39424848E-06 -.27819844E-06
|
|
1945
|
-
-.16375573E-06 -.51676429E-07 .57324887E-07 .16257886E-06 .26346458E-06
|
|
1946
|
-
.35941234E-06 .44990598E-06 .53448473E-06 .61274457E-06 .68433919E-06
|
|
1947
|
-
.74898045E-06 .80643848E-06 .85654126E-06 .89917390E-06 .93427748E-06
|
|
1948
|
-
.96184756E-06 .98193235E-06 .99463057E-06 .10000890E-05 .99849987E-06
|
|
1949
|
-
.99009789E-06 .97515720E-06 .95398810E-06 .92693364E-06 .89436610E-06
|
|
1950
|
-
.85668344E-06 .81430564E-06 .76767101E-06 .71723258E-06 .66345446E-06
|
|
1951
|
-
.60680824E-06 .54776950E-06 .48681442E-06 .42441651E-06 .36104343E-06
|
|
1952
|
-
.29715404E-06 .23319553E-06 .16960084E-06 .10678617E-06 .45148754E-07
|
|
1953
|
-
-.14935182E-07 -.73112215E-07 -.12905333E-06 -.18245528E-06 -.23304175E-06
|
|
1954
|
-
-.28056427E-06 -.32480289E-06 -.36556669E-06 -.40269406E-06 -.43605271E-06
|
|
1955
|
-
-.46553961E-06 -.49108059E-06 -.51262989E-06 -.53016946E-06 -.54370812E-06
|
|
1956
|
-
-.55328061E-06 -.55894645E-06 -.56078868E-06 -.55891258E-06 -.55344417E-06
|
|
1957
|
-
-.54452868E-06 -.53232903E-06 -.51702408E-06 -.49880702E-06 -.47788357E-06
|
|
1958
|
-
-.45447031E-06 -.42879289E-06 -.40108428E-06 -.37158307E-06 -.34053175E-06
|
|
1959
|
-
-.30817504E-06 -.27475829E-06 -.24052589E-06 -.20571980E-06 -.17057807E-06
|
|
1960
|
-
-.13533351E-06 -.10021239E-06 -.65433287E-07 -.31205911E-07 .22698555E-08
|
|
1961
|
-
.34804895E-07 .66221673E-07 .96354962E-07 .12505246E-06 .15217532E-06
|
|
1962
|
-
.17759857E-06 .20121143E-06 .22291757E-06 .24263523E-06 .26029726E-06
|
|
1963
|
-
.27585108E-06 .28925856E-06 .30049580E-06 .30955286E-06 .31643338E-06
|
|
1964
|
-
.32115418E-06 .32374473E-06 .32424663E-06 .32271301E-06 .31920785E-06
|
|
1965
|
-
.31380531E-06 .30658898E-06 .29765115E-06 .28709195E-06 .27501862E-06
|
|
1966
|
-
.26154461E-06 .24678878E-06 .23087453E-06 .21392895E-06 .19608197E-06
|
|
1967
|
-
.17746556E-06 .15821284E-06 .13845730E-06 .11833201E-06 .97968858E-07
|
|
1968
|
-
.77497781E-07 .57046085E-07 .36737751E-07 .16692804E-07 -.29732920E-08
|
|
1969
|
-
-.22150192E-07 -.40733188E-07 -.58623681E-07 -.75729604E-07 -.91965804E-07
|
|
1970
|
-
-.10725437E-06 -.12152491E-06 -.13471479E-06 -.14676931E-06 -.15764185E-06
|
|
1971
|
-
-.16729394E-06 -.17569529E-06 -.18282381E-06 -.18866552E-06 -.19321446E-06
|
|
1972
|
-
-.19647255E-06 -.19844941E-06 -.19916210E-06 -.19863489E-06 -.19689895E-06
|
|
1973
|
-
-.19399199E-06 -.18995795E-06 -.18484654E-06 -.17871290E-06 -.17161707E-06
|
|
1974
|
-
-.16362361E-06 -.15480109E-06 -.14522157E-06 -.13496014E-06 -.12409440E-06
|
|
1975
|
-
-.11270393E-06 -.10086980E-06 -.88674009E-07 -.76199030E-07 -.63527261E-07
|
|
1976
|
-
-.50740553E-07 -.37919717E-07 -.25144064E-07 -.12490951E-07 -.35353165E-10
|
|
1977
|
-
.12150542E-07 .23997722E-07 .35440700E-07 .46417850E-07 .56871701E-07
|
|
1978
|
-
.66749208E-07 .76001989E-07 .84586525E-07 .92464333E-07 .99602102E-07
|
|
1979
|
-
.10597179E-06 .11155069E-06 .11632148E-06 .12027219E-06 .12339619E-06
|
|
1980
|
-
.12569211E-06 .12716375E-06 .12781994E-06 .12767438E-06 .12674546E-06
|
|
1981
|
-
.12505604E-06 .12263323E-06 .11950809E-06 .11571540E-06 .11129330E-06
|
|
1982
|
-
.10628305E-06 .10072865E-06 .94676518E-07 .88175140E-07 .81274727E-07
|
|
1983
|
-
.74026847E-07 .66484077E-07 .58699640E-07 .50727059E-07 .42619805E-07
|
|
1984
|
-
.34430962E-07 .26212897E-07 .18016942E-07 .98930966E-08 .18897373E-08
|
|
1985
|
-
-.59466508E-08 -.13571724E-07 -.20943512E-07 -.28022626E-07 -.34772448E-07
|
|
1986
|
-
-.41159293E-07 -.47152557E-07 -.52724827E-07 -.57851981E-07 -.62513256E-07
|
|
1987
|
-
-.66691295E-07 -.70372169E-07 -.73545380E-07 -.76203834E-07 -.78343800E-07
|
|
1988
|
-
-.79964843E-07 -.81069742E-07 -.81664380E-07 -.81757632E-07 -.81361217E-07
|
|
1989
|
-
-.80489556E-07 -.79159600E-07 -.77390652E-07 -.75204186E-07 -.72623641E-07
|
|
1990
|
-
-.69674228E-07 -.66382711E-07 -.62777202E-07 -.58886943E-07 -.54742087E-07
|
|
1991
|
-
-.50373489E-07 -.45812489E-07 -.41090702E-07 -.36239818E-07 -.31291400E-07
|
|
1992
|
-
-.26276694E-07 -.21226450E-07 -.16170744E-07 -.11138820E-07 -.61589352E-08
|
|
1993
|
-
-.12582227E-08 .35374368E-08 .82035301E-08 .12717012E-07 .17056396E-07
|
|
1994
|
-
.21201826E-07 .25135141E-07 .28839923E-07 .32301531E-07 .35507125E-07
|
|
1995
|
-
.38445677E-07 .41107969E-07 .43486579E-07 .45575860E-07 .47371906E-07
|
|
1996
|
-
.48872507E-07 .50077102E-07 .50986717E-07 .51603898E-07 .51932645E-07
|
|
1997
|
-
.51978330E-07 .51747614E-07 .51248369E-07 .50489585E-07 .49481280E-07
|
|
1998
|
-
.48234414E-07 .46760792E-07 .45072979E-07 .43184205E-07 .41108278E-07
|
|
1999
|
-
.38859499E-07 .36452576E-07 .33902540E-07 .31224673E-07 .28434427E-07
|
|
2000
|
-
.25547355E-07 .22579044E-07 .19545049E-07 .16460835E-07 .13341721E-07
|
|
2001
|
-
.10202826E-07 .70590205E-08 .39248837E-08 .81465991E-09 -.22577792E-08
|
|
2002
|
-
-.52789701E-08 -.82358903E-08 -.11115989E-07 -.13907213E-07 -.16598036E-07
|
|
2003
|
-
-.19177481E-07 -.21635141E-07 -.23961207E-07 -.26146479E-07 -.28182394E-07
|
|
2004
|
-
-.30061039E-07 -.31775171E-07 -.33318235E-07 -.34684378E-07 -.35868469E-07
|
|
2005
|
-
-.36866111E-07 -.37673658E-07 -.38288228E-07 -.38707719E-07 -.38930818E-07
|
|
2006
|
-
-.38957013E-07 -.38786607E-07 -.38420722E-07 -.37861304E-07 -.37111135E-07
|
|
2007
|
-
-.36173827E-07 -.35053826E-07 -.33756410E-07 -.32287678E-07 -.30654543E-07
|
|
2008
|
-
-.28864718E-07 -.26926702E-07 -.24849751E-07 -.22643861E-07 -.20319734E-07
|
|
2009
|
-
-.17888740E-07 -.15362887E-07 -.12754768E-07 -.10077520E-07 -.73447656E-08
|
|
2010
|
-
-.45705585E-08 -.17693216E-08 .10442197E-08 .38551075E-08 .66482243E-08
|
|
2011
|
-
.94083710E-08 .12120346E-07 .14769029E-07 .17339465E-07 .19816950E-07
|
|
2012
|
-
.22187120E-07 .24436037E-07 .26550283E-07 .28517037E-07 .30324171E-07
|
|
2013
|
-
.31960328E-07 .33415009E-07 .34678644E-07 .35742674E-07 .36599614E-07
|
|
2014
|
-
.37243123E-07 .37668059E-07 .37870534E-07 .37847955E-07 .37599066E-07
|
|
2015
|
-
.37123976E-07 .36424178E-07 .35502564E-07 .34363427E-07 .33012454E-07
|
|
2016
|
-
.31456709E-07 .29704611E-07 .27765895E-07 .25651565E-07 .23373846E-07
|
|
2017
|
-
.20946111E-07 .18382814E-07 .15699406E-07 .12912242E-07 .10038486E-07
|
|
2018
|
-
.70960014E-08 .41032436E-08 .10791381E-08 -.19570411E-08 -.49857988E-08
|
|
2019
|
-
-.79875496E-08 -.10942751E-07 -.13832036E-07 -.16636351E-07 -.19337088E-07
|
|
2020
|
-
-.21916216E-07 -.24356412E-07 -.26641190E-07 -.28755016E-07 -.30683428E-07
|
|
2021
|
-
-.32413145E-07 -.33932166E-07 -.35229865E-07 -.36297075E-07 -.37126159E-07
|
|
2022
|
-
-.37711078E-07 -.38047438E-07 -.38132533E-07 -.37965375E-07 -.37546706E-07
|
|
2023
|
-
-.36879004E-07 -.35966473E-07 -.34815022E-07 -.33432228E-07 -.31827291E-07
|
|
2024
|
-
-.30010972E-07 -.27995527E-07 -.25794617E-07 -.23423223E-07 -.20897536E-07
|
|
2025
|
-
-.18234851E-07 -.15453438E-07 -.12572422E-07 -.96116412E-08 -.65915086E-08
|
|
2026
|
-
-.35328667E-08 -.45683760E-09 .26153284E-08 .56624052E-08 .86633446E-08
|
|
2027
|
-
.11597427E-07 .14444413E-07 .17184687E-07 .19799403E-07 .22270616E-07
|
|
2028
|
-
.24581417E-07 .26716052E-07 .28660038E-07 .30400263E-07 .31925089E-07
|
|
2029
|
-
.33224426E-07 .34289811E-07 .35114465E-07 .35693339E-07 .36023153E-07
|
|
2030
|
-
.36102413E-07 .35931423E-07 .35512276E-07 .34848840E-07 .33946720E-07
|
|
2031
|
-
.32813221E-07 .31457284E-07 .29889422E-07 .28121634E-07 .26167319E-07
|
|
2032
|
-
.24041166E-07 .21759051E-07 .19337909E-07 .16795611E-07 .14150828E-07
|
|
2033
|
-
.11422889E-07 .86316376E-08 .57972838E-08 .29402523E-08 .81031268E-10
|
|
2034
|
-
-.27599794E-08 -.55626189E-08 -.83071137E-08 -.10974222E-07 -.13545373E-07
|
|
2035
|
-
-.16002805E-07 -.18329687E-07 -.20510244E-07 -.22529865E-07 -.24375209E-07
|
|
2036
|
-
-.26034292E-07 -.27496570E-07 -.28753012E-07 -.29796153E-07 -.30620139E-07
|
|
2037
|
-
-.31220767E-07 -.31595497E-07 -.31743462E-07 -.31665467E-07 -.31363962E-07
|
|
2038
|
-
-.30843020E-07 -.30108290E-07 -.29166940E-07 -.28027597E-07 -.26700267E-07
|
|
2039
|
-
-.25196250E-07 -.23528042E-07 -.21709235E-07 -.19754403E-07 -.17678984E-07
|
|
2040
|
-
-.15499159E-07 -.13231720E-07 -.10893941E-07 -.85034453E-08 -.60780658E-08
|
|
2041
|
-
-.36357125E-08 -.11942363E-08 .12287039E-08 .36157724E-08 .59500828E-08
|
|
2042
|
-
.82153200E-08 .10395857E-07 .12476865E-07 .14444414E-07 .16285570E-07
|
|
2043
|
-
.17988482E-07 .19542452E-07 .20938012E-07 .22166973E-07 .23222474E-07
|
|
2044
|
-
.24099022E-07 .24792509E-07 .25300234E-07 .25620901E-07 .25754614E-07
|
|
2045
|
-
.25702858E-07 .25468471E-07 .25055603E-07 .24469675E-07 .23717312E-07
|
|
2046
|
-
.22806285E-07 .21745434E-07 .20544587E-07 .19214475E-07 .17766636E-07
|
|
2047
|
-
.16213317E-07 .14567375E-07 .12842165E-07 .11051440E-07 .92092344E-08
|
|
2048
|
-
.73297553E-08 .54272747E-08 .35160179E-08 .16100569E-08 -.27679430E-09
|
|
2049
|
-
-.21310808E-08 -.39398039E-08 -.56905127E-08 -.73713907E-08 -.89713362E-08
|
|
2050
|
-
-.10480035E-07 -.11888027E-07 -.13186766E-07 -.14368665E-07 -.15427147E-07
|
|
2051
|
-
-.16356670E-07 -.17152756E-07 -.17812007E-07 -.18332112E-07 -.18711846E-07
|
|
2052
|
-
-.18951059E-07 -.19050659E-07 -.19012585E-07 -.18839773E-07 -.18536116E-07
|
|
2053
|
-
-.18106416E-07 -.17556328E-07 -.16892301E-07 -.16121511E-07 -.15251794E-07
|
|
2054
|
-
-.14291570E-07 -.13249766E-07 -.12135739E-07 -.10959189E-07 -.97300816E-08
|
|
2055
|
-
-.84585636E-08 -.71548784E-08 -.58292859E-08 -.44919815E-08 -.31530185E-08
|
|
2056
|
-
-.18222323E-08 -.50916874E-09 .77698373E-09 .20274579E-08 .32339662E-08
|
|
2057
|
-
.43887548E-08 .54846511E-08 .65151059E-08 .74742302E-08 .83568247E-08
|
|
2058
|
-
.91584034E-08 .98752115E-08 .10504236E-07 .11043210E-07 .11490612E-07
|
|
2059
|
-
.11845657E-07 .12108287E-07 .12279146E-07 .12359561E-07 .12351510E-07
|
|
2060
|
-
.12257592E-07 .12080983E-07 .11825400E-07 .11495054E-07 .11094603E-07
|
|
2061
|
-
.10629100E-07 .10103943E-07 .95248204E-08 .88976577E-08 .82285616E-08
|
|
2062
|
-
.75237661E-08 .67895777E-08 .60323225E-08 .52582944E-08 .44737044E-08
|
|
2063
|
-
.36846332E-08 .28969853E-08 .21164469E-08 .13484459E-08 .59811630E-09
|
|
2064
|
-
-.12973419E-09 -.83065313E-09 -.15005678E-08 -.21358059E-08 -.27331121E-08
|
|
2065
|
-
-.32896600E-08 -.38030607E-08 -.42713661E-08 -.46930697E-08 -.50671018E-08
|
|
2066
|
-
25.1333556480996805 T
|
|
2067
|
-
Non local Part
|
|
2068
|
-
0 2 1.18930162001303108
|
|
2069
|
-
5.25220032448500618 -0.253774079702866306 -0.253774079702866306 -0.975427072192770923E-02
|
|
2070
|
-
Reciprocal Space Part
|
|
2071
|
-
.44853921E+01 .44761298E+01 .44484188E+01 .44024863E+01 .43387087E+01
|
|
2072
|
-
.42576077E+01 .41598451E+01 .40462172E+01 .39176459E+01 .37751709E+01
|
|
2073
|
-
.36199385E+01 .34531909E+01 .32762541E+01 .30905242E+01 .28974541E+01
|
|
2074
|
-
.26985388E+01 .24953006E+01 .22892737E+01 .20819890E+01 .18749590E+01
|
|
2075
|
-
.16696623E+01 .14675291E+01 .12699272E+01 .10781485E+01 .89339658E+00
|
|
2076
|
-
.71677535E+00 .54927901E+00 .39178326E+00 .24503808E+00 .10966211E+00
|
|
2077
|
-
-.13861289E-01 -.12518622E+00 -.22410469E+00 -.31054526E+00 -.38456994E+00
|
|
2078
|
-
-.44636936E+00 -.49625634E+00 -.53465798E+00 -.56210625E+00 -.57922747E+00
|
|
2079
|
-
-.58673065E+00 -.58539502E+00 -.57605682E+00 -.55959572E+00 -.53692104E+00
|
|
2080
|
-
-.50895785E+00 -.47663347E+00 -.44086429E+00 -.40254331E+00 -.36252852E+00
|
|
2081
|
-
-.32163226E+00 -.28061181E+00 -.24016128E+00 -.20090483E+00 -.16339146E+00
|
|
2082
|
-
-.12809122E+00 -.95393066E-01 -.65604079E-01 -.38950279E-01 -.15578752E-01
|
|
2083
|
-
.44389066E-02 .21101986E-01 .34475028E-01 .44681323E-01 .51895706E-01
|
|
2084
|
-
.56336834E-01 .58259116E-01 .57944484E-01 .55694181E-01 .51820737E-01
|
|
2085
|
-
.46640277E-01 .40465325E-01 .33598213E-01 .26325203E-01 .18911415E-01
|
|
2086
|
-
.11596613E-01 .45918975E-02 -.19226931E-02 -.77996581E-02 -.12924630E-01
|
|
2087
|
-
-.17216131E-01 -.20624550E-01 -.23130423E-01 -.24742109E-01 -.25492958E-01
|
|
2088
|
-
-.25438074E-01 -.24650796E-01 -.23218996E-01 -.21241298E-01 -.18823342E-01
|
|
2089
|
-
-.16074165E-01 -.13102795E-01 -.10015136E-01 -.69111983E-02 -.38827302E-02
|
|
2090
|
-
-.10112772E-02 .16333031E-02 .39938699E-02 .60265748E-02 .77010053E-02
|
|
2091
|
-
Real Space Part
|
|
2092
|
-
-.73922497E+01 -.73469865E+01 -.72117608E+01 -.69882563E+01 -.66792534E+01
|
|
2093
|
-
-.62885906E+01 -.58211108E+01 -.52825947E+01 -.46796797E+01 -.40197676E+01
|
|
2094
|
-
-.33109208E+01 -.25617497E+01 -.17812917E+01 -.97888415E+00 -.16403354E+00
|
|
2095
|
-
.65371846E+00 .14649286E+01 .22603839E+01 .30312298E+01 .37690922E+01
|
|
2096
|
-
.44661909E+01 .51154437E+01 .57105585E+01 .62461116E+01 .67176119E+01
|
|
2097
|
-
.71215483E+01 .74554210E+01 .77177556E+01 .79080993E+01 .80270002E+01
|
|
2098
|
-
.80759694E+01 .80574285E+01 .79746408E+01 .78316305E+01 .76330904E+01
|
|
2099
|
-
.73842803E+01 .70909175E+01 .67590642E+01 .63950108E+01 .60051606E+01
|
|
2100
|
-
.55959162E+01 .51735711E+01 .47442075E+01 .43136040E+01 .38871527E+01
|
|
2101
|
-
.34697884E+01 .30659309E+01 .26794405E+01 .23135872E+01 .19710344E+01
|
|
2102
|
-
.16538352E+01 .13634426E+01 .11007303E+01 .86602542E+00 .65914970E+00
|
|
2103
|
-
.47946871E+00 .32594704E+00 .19720770E+00 .91594200E-01 .72332817E-02
|
|
2104
|
-
-.57902961E-01 -.10593732E+00 -.13903126E+00 -.15933341E+00 -.16893366E+00
|
|
2105
|
-
-.16982358E+00 -.16386357E+00 -.15275701E+00 -.13803137E+00 -.12102611E+00
|
|
2106
|
-
-.10288702E+00 -.84566417E-01 -.66828585E-01 -.50259648E-01 -.35281159E-01
|
|
2107
|
-
-.22166481E-01 -.11059151E-01 -.19924118E-02 .50908498E-02 .10318455E-01
|
|
2108
|
-
.13870161E-01 .15960282E-01 .16822067E-01 .16694150E-01 .15809216E-01
|
|
2109
|
-
.14384966E-01 .12617362E-01 .10676041E-01 .87017277E-02 .68054232E-02
|
|
2110
|
-
.50691024E-02 .35476371E-02 .22716496E-02 .12510058E-02 .47867701E-03
|
|
2111
|
-
-.65279791E-04 -.40983551E-03 -.58937462E-03 -.64048812E-03 -.59926878E-03
|
|
2112
|
-
Reciprocal Space Part
|
|
2113
|
-
-.23471979E+02 -.23324177E+02 -.22882062E+02 -.22149508E+02 -.21132950E+02
|
|
2114
|
-
-.19841366E+02 -.18286233E+02 -.16481480E+02 -.14443418E+02 -.12190653E+02
|
|
2115
|
-
-.97439857E+01 -.71262739E+01 -.43622826E+01 -.14785010E+01 .14970679E+01
|
|
2116
|
-
.45351465E+01 .76054501E+01 .10676984E+02 .13718364E+02 .16698165E+02
|
|
2117
|
-
.19585283E+02 .22349317E+02 .24960960E+02 .27392390E+02 .29617660E+02
|
|
2118
|
-
.31613077E+02 .33357565E+02 .34832990E+02 .36024468E+02 .36920618E+02
|
|
2119
|
-
.37513770E+02 .37800126E+02 .37779847E+02 .37457091E+02 .36839976E+02
|
|
2120
|
-
.35940478E+02 .34774259E+02 .33360437E+02 .31721281E+02 .29881857E+02
|
|
2121
|
-
.27869622E+02 .25713967E+02 .23445732E+02 .21096687E+02 .18699003E+02
|
|
2122
|
-
.16284714E+02 .13885184E+02 .11530593E+02 .92494467E+01 .70681257E+01
|
|
2123
|
-
.50104793E+01 .30974744E+01 .13469055E+01 -.22682856E+00 -.16128767E+01
|
|
2124
|
-
-.28040150E+01 -.37966520E+01 -.45907617E+01 -.51897462E+01 -.56002332E+01
|
|
2125
|
-
-.58318134E+01 -.58967255E+01 -.58094969E+01 -.55865487E+01 -.52457756E+01
|
|
2126
|
-
-.48061102E+01 -.42870824E+01 -.37083845E+01 -.30894498E+01 -.24490570E+01
|
|
2127
|
-
-.18049663E+01 -.11735951E+01 -.56973992E+00 -.63491435E-02 .50565058E+00
|
|
2128
|
-
.95747170E+00 .13425268E+01 .16564342E+01 .18969704E+01 .20639732E+01
|
|
2129
|
-
.21591999E+01 .21861470E+01 .21498364E+01 .20565771E+01 .19137084E+01
|
|
2130
|
-
.17293324E+01 .15120440E+01 .12706649E+01 .10139885E+01 .75054264E+00
|
|
2131
|
-
.48837420E+00 .23486173E+00 -.34417565E-02 -.22093240E+00 -.41304442E+00
|
|
2132
|
-
-.57630384E+00 -.70834761E+00 -.80790969E+00 -.87477646E+00 -.90971472E+00
|
|
2133
|
-
Real Space Part
|
|
2134
|
-
.63109506E+03 .63048721E+03 .62865344E+03 .62556360E+03 .62116924E+03
|
|
2135
|
-
.61540620E+03 .60819816E+03 .59946085E+03 .58910701E+03 .57705164E+03
|
|
2136
|
-
.56321759E+03 .54754102E+03 .52997678E+03 .51050330E+03 .48912688E+03
|
|
2137
|
-
.46588522E+03 .44085000E+03 .41412848E+03 .38586387E+03 .35623468E+03
|
|
2138
|
-
.32545282E+03 .29376068E+03 .26142705E+03 .22874231E+03 .19601270E+03
|
|
2139
|
-
.16355405E+03 .13168515E+03 .10072086E+03 .70965254E+02 .42704970E+02
|
|
2140
|
-
.16203010E+02 -.83069068E+01 -.30625205E+02 -.50590428E+02 -.68082214E+02
|
|
2141
|
-
-.83023198E+02 -.95379806E+02 -.10516195E+03 -.11242163E+03 -.11725054E+03
|
|
2142
|
-
-.11977677E+03 -.12016068E+03 -.11859015E+03 -.11527531E+03 -.11044297E+03
|
|
2143
|
-
-.10433084E+03 -.97181821E+02 -.89238377E+02 -.80737305E+02 -.71904895E+02
|
|
2144
|
-
-.62952672E+02 -.54073776E+02 -.45440055E+02 -.37199912E+02 -.29476905E+02
|
|
2145
|
-
-.22369109E+02 -.15949191E+02 -.10265156E+02 -.53416802E+01 -.11819575E+01
|
|
2146
|
-
.22300384E+01 .49269794E+01 .69553982E+01 .83727940E+01 .92447276E+01
|
|
2147
|
-
.96419944E+01 .96379567E+01 .93061002E+01 .87178717E+01 .79408347E+01
|
|
2148
|
-
.70371712E+01 .60625385E+01 .50652806E+01 .40859788E+01 .31573186E+01
|
|
2149
|
-
.23042383E+01 .15443207E+01 .88838446E+00 .34122718E+00 -.97524319E-01
|
|
2150
|
-
-.43250316E+00 -.67167238E+00 -.82541372E+00 -.90566743E+00 -.92514965E+00
|
|
2151
|
-
-.89666710E+00 -.83254264E+00 -.74415877E+00 -.64162045E+00 -.53353324E+00
|
|
2152
|
-
-.42688860E+00 -.32704446E+00 -.23778684E+00 -.16145644E+00 -.99123733E-01
|
|
2153
|
-
-.50796105E-01 -.15641497E-01 .77854512E-02 .21326755E-01 .27023699E-01
|
|
2154
|
-
Non local Part
|
|
2155
|
-
1 2 1.18930162001303108
|
|
2156
|
-
1.29393736574105067 2.18014247622539026 2.18014247622539026 1.37109506393646852
|
|
2157
|
-
Reciprocal Space Part
|
|
2158
|
-
.00000000E+00 .23259528E+00 .46298899E+00 .68901127E+00 .90855512E+00
|
|
2159
|
-
.11196064E+01 .13202720E+01 .15088065E+01 .16836349E+01 .18433740E+01
|
|
2160
|
-
.19868488E+01 .21131064E+01 .22214255E+01 .23113218E+01 .23825503E+01
|
|
2161
|
-
.24351023E+01 .24691996E+01 .24852845E+01 .24840066E+01 .24662064E+01
|
|
2162
|
-
.24328963E+01 .23852392E+01 .23245252E+01 .22521472E+01 .21695751E+01
|
|
2163
|
-
.20783303E+01 .19799601E+01 .18760122E+01 .17680110E+01 .16574350E+01
|
|
2164
|
-
.15456957E+01 .14341199E+01 .13239327E+01 .12162445E+01 .11120400E+01
|
|
2165
|
-
.10121710E+01 .91735042E+00 .82815126E+00 .74500653E+00 .66821277E+00
|
|
2166
|
-
.59793558E+00 .53421742E+00 .47698722E+00 .42607155E+00 .38120706E+00
|
|
2167
|
-
.34205381E+00 .30820914E+00 .27922182E+00 .25460608E+00 .23385525E+00
|
|
2168
|
-
.21645477E+00 .20189427E+00 .18967852E+00 .17933714E+00 .17043286E+00
|
|
2169
|
-
.16256828E+00 .15539105E+00 .14859754E+00 .14193495E+00 .13520192E+00
|
|
2170
|
-
.12824778E+00 .12097064E+00 .11331422E+00 .10526389E+00 .96841866E-01
|
|
2171
|
-
.88101893E-01 .79123491E-01 .70006043E-01 .60862842E-01 .51815287E-01
|
|
2172
|
-
.42987371E-01 .34500596E-01 .26469419E-01 .18997325E-01 .12173589E-01
|
|
2173
|
-
.60707632E-02 .74291385E-03 -.37754043E-02 -.74694551E-02 -.10343960E-01
|
|
2174
|
-
-.12422127E-01 -.13744147E-01 -.14365236E-01 -.14353328E-01 -.13786502E-01
|
|
2175
|
-
-.12750251E-01 -.11334684E-01 -.96317537E-02 -.77325995E-02 -.57250707E-02
|
|
2176
|
-
-.36915074E-02 -.17068231E-02 .16306652E-03 .18624442E-02 .33466055E-02
|
|
2177
|
-
.45822875E-02 .55477233E-02 .62323440E-02 .66361606E-02 .67688659E-02
|
|
2178
|
-
Real Space Part
|
|
2179
|
-
.00000000E+00 .12748987E+01 .25368829E+01 .37732673E+01 .49718204E+01
|
|
2180
|
-
.61209769E+01 .72100347E+01 .82293311E+01 .91703944E+01 .10026067E+02
|
|
2181
|
-
.10790598E+02 .11459705E+02 .12030599E+02 .12501984E+02 .12874015E+02
|
|
2182
|
-
.13148235E+02 .13327478E+02 .13415755E+02 .13418111E+02 .13340476E+02
|
|
2183
|
-
.13189497E+02 .12972366E+02 .12696651E+02 .12370119E+02 .12000575E+02
|
|
2184
|
-
.11595708E+02 .11162953E+02 .10709368E+02 .10241529E+02 .97654494E+01
|
|
2185
|
-
.92865161E+01 .88094503E+01 .83382873E+01 .78763767E+01 .74264001E+01
|
|
2186
|
-
.69904049E+01 .65698521E+01 .61656743E+01 .57783418E+01 .54079342E+01
|
|
2187
|
-
.50542142E+01 .47167010E+01 .43947419E+01 .40875774E+01 .37944019E+01
|
|
2188
|
-
.35144149E+01 .32468640E+01 .29910783E+01 .27464923E+01 .25126598E+01
|
|
2189
|
-
.22892600E+01 .20760943E+01 .18730765E+01 .16802179E+01 .14976066E+01
|
|
2190
|
-
.13253851E+01 .11637250E+01 .10128025E+01 .87277372E+00 .74375300E+00
|
|
2191
|
-
.62579334E+00 .51887076E+00 .42287263E+00 .33759040E+00 .26271663E+00
|
|
2192
|
-
.19784643E+00 .14248273E+00 .96045223E-01 .57882128E-01 .27284354E-01
|
|
2193
|
-
.35012348E-02 -.14242826E-01 -.26731524E-01 -.34740274E-01 -.39020881E-01
|
|
2194
|
-
-.40287767E-01 -.39206148E-01 -.36382453E-01 -.32357181E-01 -.27600239E-01
|
|
2195
|
-
-.22508754E-01 -.17407205E-01 -.12549684E-01 -.81239983E-02 -.42572934E-02
|
|
2196
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-
-.10228512E-02 .15523125E-02 .34794052E-02 .47997146E-02 .55766761E-02
|
|
2197
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-
.58884182E-02 .58210078E-02 .54625604E-02 .48983273E-02 .42068165E-02
|
|
2198
|
-
.34569552E-02 .27062529E-02 .19998897E-02 .13706201E-02 .83936254E-03
|
|
2199
|
-
Reciprocal Space Part
|
|
2200
|
-
.00000000E+00 -.51801611E+00 -.10210039E+01 -.14943373E+01 -.19241847E+01
|
|
2201
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-
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|
|
2202
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-
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|
|
2203
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-
-.15329448E+01 -.10290841E+01 -.48086492E+00 .97595685E-01 .69122359E+00
|
|
2204
|
-
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|
|
2205
|
-
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|
|
2206
|
-
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|
|
2207
|
-
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|
|
2208
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-
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|
|
2209
|
-
-.56217248E+01 -.61965946E+01 -.66867172E+01 -.70839596E+01 -.73822523E+01
|
|
2210
|
-
-.75776863E+01 -.76685560E+01 -.76553498E+01 -.75406883E+01 -.73292135E+01
|
|
2211
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-
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|
|
2212
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-
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|
|
2213
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-
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|
|
2214
|
-
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|
|
2215
|
-
.19543495E+01 .19539088E+01 .19025981E+01 .18062772E+01 .16714522E+01
|
|
2216
|
-
.15050777E+01 .13143571E+01 .11065484E+01 .88877751E+00 .66786605E+00
|
|
2217
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-
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|
|
2218
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-
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|
|
2219
|
-
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|
|
2220
|
-
Real Space Part
|
|
2221
|
-
.00000000E+00 -.21763330E+02 -.43117992E+02 -.63664952E+02 -.83024179E+02
|
|
2222
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-
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|
|
2223
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-
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|
|
2224
|
-
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|
|
2225
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-
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|
|
2226
|
-
-.15155861E+02 -.16222329E+01 .10824211E+02 .21997806E+02 .31752470E+02
|
|
2227
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-
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|
|
2228
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-
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|
|
2229
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-
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|
|
2230
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-
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|
2231
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-
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|
2232
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-
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|
2233
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-
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|
2234
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-
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|
2235
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-
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|
|
2236
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-
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|
|
2237
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-
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|
2238
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-
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|
|
2239
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|
|
2240
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-
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|
|
2241
|
-
PAW radial sets
|
|
2242
|
-
337 0.753557049640512289
|
|
2243
|
-
(5E20.12)
|
|
2244
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augmentation charges (non sperical)
|
|
2245
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|
2246
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2247
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|
|
2248
|
-
.672140453470E-02
|
|
2249
|
-
uccopancies in atom
|
|
2250
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|
|
2251
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2252
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|
2253
|
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.000000000000E+00
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2254
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grid
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2255
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2256
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2257
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2258
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2259
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2260
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2261
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2262
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2263
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2264
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2265
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|
2266
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|
2267
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2268
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|
2269
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|
|
2270
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2271
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2272
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2273
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2274
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2275
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2276
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2277
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2278
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2279
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2280
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2281
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2282
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2283
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2284
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2285
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2286
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2287
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2288
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2289
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2290
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2291
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2292
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2293
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2294
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2295
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2296
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2297
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2298
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2299
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2300
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2301
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2302
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2303
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2304
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2305
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2306
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2307
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2308
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|
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2309
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|
|
2310
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|
|
2311
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|
|
2312
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2392
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.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2588
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2589
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2590
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2591
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2592
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2593
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2594
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2595
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2596
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2597
|
-
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00
|
|
2598
|
-
.000000000000E+00 .000000000000E+00
|
|
2599
|
-
pseudo wavefunction
|
|
2600
|
-
.121138088406E-03 .124894011848E-03 .128766388842E-03 .132758830067E-03 .136875058151E-03
|
|
2601
|
-
.141118911143E-03 .145494346092E-03 .150005442736E-03 .154656407308E-03 .159451576456E-03
|
|
2602
|
-
.164395421285E-03 .169492551531E-03 .174747719855E-03 .180165826274E-03 .185751922735E-03
|
|
2603
|
-
.191511217819E-03 .197449081602E-03 .203571050660E-03 .209882833234E-03 .216390314549E-03
|
|
2604
|
-
.223099562303E-03 .230016832326E-03 .237148574411E-03 .244501438329E-03 .252082280029E-03
|
|
2605
|
-
.259898168031E-03 .267956390015E-03 .276264459621E-03 .284830123448E-03 .293661368282E-03
|
|
2606
|
-
.302766428542E-03 .312153793958E-03 .321832217484E-03 .331810723464E-03 .342098616043E-03
|
|
2607
|
-
.352705487846E-03 .363641228918E-03 .374916035948E-03 .386540421775E-03 .398525225193E-03
|
|
2608
|
-
.410881621056E-03 .423621130696E-03 .436755632668E-03 .450297373825E-03 .464258980735E-03
|
|
2609
|
-
.478653471458E-03 .493494267681E-03 .508795207236E-03 .524570556996E-03 .540835026188E-03
|
|
2610
|
-
.557603780096E-03 .574892454212E-03 .592717168808E-03 .611094543967E-03 .630041715086E-03
|
|
2611
|
-
.649576348845E-03 .669716659684E-03 .690481426786E-03 .711890011586E-03 .733962375825E-03
|
|
2612
|
-
.756719100160E-03 .780181403357E-03 .804371162071E-03 .829310931249E-03 .855023965155E-03
|
|
2613
|
-
.881534239057E-03 .908866471579E-03 .937046147749E-03 .966099542760E-03 .996053746473E-03
|
|
2614
|
-
.102693668867E-02 .105877716510E-02 .109160486432E-02 .112545039539E-02 .116034531640E-02
|
|
2615
|
-
.119632216391E-02 .123341448325E-02 .127165685986E-02 .131108495146E-02 .135173552137E-02
|
|
2616
|
-
.139364647272E-02 .143685688386E-02 .148140704473E-02 .152733849445E-02 .157469406008E-02
|
|
2617
|
-
.162351789651E-02 .167385552762E-02 .172575388877E-02 .177926137053E-02 .183442786379E-02
|
|
2618
|
-
.189130480631E-02 .194994523062E-02 .201040381352E-02 .207273692704E-02 .213700269095E-02
|
|
2619
|
-
.220326102704E-02 .227157371488E-02 .234200444950E-02 .241461890071E-02 .248948477438E-02
|
|
2620
|
-
.256667187551E-02 .264625217334E-02 .272829986840E-02 .281289146175E-02 .290010582624E-02
|
|
2621
|
-
.299002428003E-02 .308273066247E-02 .317831141216E-02 .327685564757E-02 .337845525013E-02
|
|
2622
|
-
.348320494984E-02 .359120241359E-02 .370254833618E-02 .381734653419E-02 .393570404275E-02
|
|
2623
|
-
.405773121527E-02 .418354182632E-02 .431325317765E-02 .444698620752E-02 .458486560339E-02
|
|
2624
|
-
.472701991813E-02 .487358168982E-02 .502468756524E-02 .518047842720E-02 .534109952579E-02
|
|
2625
|
-
.550670061375E-02 .567743608595E-02 .585346512327E-02 .603495184084E-02 .622206544095E-02
|
|
2626
|
-
.641498037062E-02 .661387648414E-02 .681893921051E-02 .703035972615E-02 .724833513293E-02
|
|
2627
|
-
.747306864168E-02 .770476976140E-02 .794365449427E-02 .818994553677E-02 .844387248689E-02
|
|
2628
|
-
.870567205786E-02 .897558829840E-02 .925387281976E-02 .954078502984E-02 .983659237445E-02
|
|
2629
|
-
.101415705860E-01 .104560039401E-01 .107801855195E-01 .111144174867E-01 .114590113650E-01
|
|
2630
|
-
.118142883275E-01 .121805794957E-01 .125582262472E-01 .129475805323E-01 .133490052009E-01
|
|
2631
|
-
.137628743392E-01 .141895736166E-01 .146295006439E-01 .150830653411E-01 .155506903180E-01
|
|
2632
|
-
.160328112653E-01 .165298773582E-01 .170423516724E-01 .175707116120E-01 .181154493515E-01
|
|
2633
|
-
.186770722903E-01 .192561035218E-01 .198530823160E-01 .204685646170E-01 .211031235560E-01
|
|
2634
|
-
.217573499789E-01 .224318529904E-01 .231272605145E-01 .238442198714E-01 .245833983720E-01
|
|
2635
|
-
.253454839299E-01 .261311856923E-01 .269412346888E-01 .277763844997E-01 .286374119446E-01
|
|
2636
|
-
.295251177904E-01 .304403274810E-01 .313838918875E-01 .323566880813E-01 .333596201281E-01
|
|
2637
|
-
.343936199066E-01 .354596479498E-01 .365586943101E-01 .376917794499E-01 .388599551568E-01
|
|
2638
|
-
.400643054844E-01 .413059477205E-01 .425860333802E-01 .439057492285E-01 .452663183291E-01
|
|
2639
|
-
.466690011226E-01 .481150965327E-01 .496059431029E-01 .511429201617E-01 .527274490186E-01
|
|
2640
|
-
.543609941907E-01 .560450646597E-01 .577812151605E-01 .595710475004E-01 .614162119107E-01
|
|
2641
|
-
.633184084289E-01 .652793883131E-01 .673009554874E-01 .693849680187E-01 .715333396240E-01
|
|
2642
|
-
.737480412091E-01 .760311024357E-01 .783846133185E-01 .808107258502E-01 .833116556527E-01
|
|
2643
|
-
.858896836552E-01 .885471577944E-01 .912864947378E-01 .941101816266E-01 .970207778346E-01
|
|
2644
|
-
.100020916743E+00 .103113307524E+00 .106300736931E+00 .109586071097E+00 .112972257321E+00
|
|
2645
|
-
.116462325852E+00 .120059391661E+00 .123766656188E+00 .127587409060E+00 .131525029774E+00
|
|
2646
|
-
.135582989329E+00 .139764851806E+00 .144074275870E+00 .148515016198E+00 .153090924800E+00
|
|
2647
|
-
.157805952231E+00 .162664148675E+00 .167669664866E+00 .172826752850E+00 .178139766537E+00
|
|
2648
|
-
.183613162039E+00 .189251497750E+00 .195059434146E+00 .201041733264E+00 .207203257825E+00
|
|
2649
|
-
.213548969961E+00 .220083929494E+00 .226813291727E+00 .233742304685E+00 .240876305747E+00
|
|
2650
|
-
.248220717617E+00 .255781043542E+00 .263562861721E+00 .271571818819E+00 .279813622484E+00
|
|
2651
|
-
.288294032786E+00 .297018852468E+00 .305993915888E+00 .315225076550E+00 .324718193072E+00
|
|
2652
|
-
.334479113464E+00 .344513657565E+00 .354827597469E+00 .365426635783E+00 .376316381524E+00
|
|
2653
|
-
.387502323459E+00 .398989800696E+00 .410783970296E+00 .422889771695E+00 .435311887674E+00
|
|
2654
|
-
.448054701662E+00 .461122251088E+00 .474518176537E+00 .488245666439E+00 .502307397011E+00
|
|
2655
|
-
.516705467196E+00 .531441328322E+00 .546515708227E+00 .561928529604E+00 .577678822342E+00
|
|
2656
|
-
.593764629667E+00 .610182907923E+00 .626929419872E+00 .643998621479E+00 .661383542169E+00
|
|
2657
|
-
.679075658699E+00 .697064762816E+00 .715338823082E+00 .733883841305E+00 .752683704264E+00
|
|
2658
|
-
.771720031559E+00 .790972020669E+00 .810416290531E+00 .830026725259E+00 .849774319913E+00
|
|
2659
|
-
.869627030573E+00 .889549631353E+00 .909503581335E+00 .929446904861E+00 .949334088982E+00
|
|
2660
|
-
.969116002259E+00 .988739839519E+00 .100814909743E+01 .102728358606E+01 .104607948154E+01
|
|
2661
|
-
.106446942525E+01 .108238267416E+01 .109974530684E+01 .111648048854E+01 .113250879729E+01
|
|
2662
|
-
.114774861110E+01 .116211655379E+01 .117552799344E+01 .118789758317E+01 .119913982881E+01
|
|
2663
|
-
.120916966150E+01 .121790298552E+01 .122525716336E+01 .123115138960E+01 .123550689495E+01
|
|
2664
|
-
.123824690998E+01 .123929630686E+01 .123858082660E+01 .123602579023E+01 .123155418668E+01
|
|
2665
|
-
.122508402950E+01 .121652488142E+01 .120577346315E+01 .119270829372E+01 .117717467855E+01
|
|
2666
|
-
.115917166463E+01 .113878943344E+01 .111615090441E+01 .109139043143E+01 .106465270242E+01
|
|
2667
|
-
.103609156260E+01 .100586877700E+01
|
|
2668
|
-
ae wavefunction
|
|
2669
|
-
-.598257372872E-03 -.616774296497E-03 -.635864117553E-03 -.655544546787E-03 -.675833841555E-03
|
|
2670
|
-
-.696750822646E-03 -.718314891601E-03 -.740546048573E-03 -.763464910728E-03 -.787092731204E-03
|
|
2671
|
-
-.811451418658E-03 -.836563557395E-03 -.862452428121E-03 -.889142029324E-03 -.916657099306E-03
|
|
2672
|
-
-.945023138883E-03 -.974266434777E-03 -.100441408372E-02 -.103549401728E-02 -.106753502748E-02
|
|
2673
|
-
-.110056679309E-02 -.113461990688E-02 -.116972590355E-02 -.120591728854E-02 -.124322756779E-02
|
|
2674
|
-
-.128169127832E-02 -.132134401973E-02 -.136222248670E-02 -.140436450243E-02 -.144780905310E-02
|
|
2675
|
-
-.149259632338E-02 -.153876773300E-02 -.158636597437E-02 -.163543505143E-02 -.168602031956E-02
|
|
2676
|
-
-.173816852675E-02 -.179192785598E-02 -.184734796885E-02 -.190448005056E-02 -.196337685619E-02
|
|
2677
|
-
-.202409275833E-02 -.208668379622E-02 -.215120772623E-02 -.221772407396E-02 -.228629418776E-02
|
|
2678
|
-
-.235698129394E-02 -.242985055354E-02 -.250496912075E-02 -.258240620319E-02 -.266223312375E-02
|
|
2679
|
-
-.274452338445E-02 -.282935273200E-02 -.291679922540E-02 -.300694330542E-02 -.309986786616E-02
|
|
2680
|
-
-.319565832866E-02 -.329440271663E-02 -.339619173444E-02 -.350111884723E-02 -.360928036347E-02
|
|
2681
|
-
-.372077551978E-02 -.383570656821E-02 -.395417886604E-02 -.407630096810E-02 -.420218472172E-02
|
|
2682
|
-
-.433194536437E-02 -.446570162405E-02 -.460357582251E-02 -.474569398133E-02 -.489218593104E-02
|
|
2683
|
-
-.504318542314E-02 -.519883024538E-02 -.535926234013E-02 -.552462792595E-02 -.569507762269E-02
|
|
2684
|
-
-.587076657972E-02 -.605185460790E-02 -.623850631493E-02 -.643089124440E-02 -.662918401859E-02
|
|
2685
|
-
-.683356448499E-02 -.704421786675E-02 -.726133491703E-02 -.748511207743E-02 -.771575164048E-02
|
|
2686
|
-
-.795346191631E-02 -.819845740371E-02 -.845095896519E-02 -.871119400699E-02 -.897939666295E-02
|
|
2687
|
-
-.925580798348E-02 -.954067612881E-02 -.983425656711E-02 -.101368122772E-01 -.104486139565E-01
|
|
2688
|
-
-.107699402331E-01 -.111010778835E-01 -.114423220553E-01 -.117939764942E-01 -.121563537768E-01
|
|
2689
|
-
-.125297755487E-01 -.129145727664E-01 -.133110859464E-01 -.137196654177E-01 -.141406715805E-01
|
|
2690
|
-
-.145744751695E-01 -.150214575231E-01 -.154820108572E-01 -.159565385440E-01 -.164454553967E-01
|
|
2691
|
-
-.169491879583E-01 -.174681747956E-01 -.180028667989E-01 -.185537274851E-01 -.191212333064E-01
|
|
2692
|
-
-.197058739631E-01 -.203081527210E-01 -.209285867325E-01 -.215677073620E-01 -.222260605149E-01
|
|
2693
|
-
-.229042069696E-01 -.236027227134E-01 -.243221992804E-01 -.250632440920E-01 -.258264808000E-01
|
|
2694
|
-
-.266125496301E-01 -.274221077275E-01 -.282558295024E-01 -.291144069755E-01 -.299985501233E-01
|
|
2695
|
-
-.309089872212E-01 -.318464651849E-01 -.328117499088E-01 -.338056266003E-01 -.348289001096E-01
|
|
2696
|
-
-.358823952532E-01 -.369669571311E-01 -.380834514349E-01 -.392327647470E-01 -.404158048290E-01
|
|
2697
|
-
-.416335008975E-01 -.428868038858E-01 -.441766866901E-01 -.455041443985E-01 -.468701944998E-01
|
|
2698
|
-
-.482758770711E-01 -.497222549417E-01 -.512104138304E-01 -.527414624541E-01 -.543165326049E-01
|
|
2699
|
-
-.559367791930E-01 -.576033802513E-01 -.593175369002E-01 -.610804732670E-01 -.628934363581E-01
|
|
2700
|
-
-.647576958790E-01 -.666745439974E-01 -.686452950470E-01 -.706712851648E-01 -.727538718589E-01
|
|
2701
|
-
-.748944335001E-01 -.770943687337E-01 -.793550958023E-01 -.816780517778E-01 -.840646916915E-01
|
|
2702
|
-
-.865164875601E-01 -.890349272953E-01 -.916215134944E-01 -.942777620997E-01 -.970052009216E-01
|
|
2703
|
-
-.998053680133E-01 -.102679809892E+00 -.105630079593E+00 -.108657734547E+00 -.111764334274E+00
|
|
2704
|
-
-.114951437879E+00 -.118220601335E+00 -.121573374551E+00 -.125011298206E+00 -.128535900329E+00
|
|
2705
|
-
-.132148692626E+00 -.135851166538E+00 -.139644788993E+00 -.143530997877E+00 -.147511197168E+00
|
|
2706
|
-
-.151586751745E+00 -.155758981843E+00 -.160029157139E+00 -.164398490461E+00 -.168868131078E+00
|
|
2707
|
-
-.173439157590E+00 -.178112570366E+00 -.182889283525E+00 -.187770116453E+00 -.192755784816E+00
|
|
2708
|
-
-.197846891065E+00 -.203043914408E+00 -.208347200236E+00 -.213756948982E+00 -.219273204390E+00
|
|
2709
|
-
-.224895841190E+00 -.230624552151E+00 -.236458834500E+00 -.242397975697E+00 -.248441038544E+00
|
|
2710
|
-
-.254586845629E+00 -.260833963081E+00 -.267180683640E+00 -.273625009029E+00 -.280164631628E+00
|
|
2711
|
-
-.286796915451E+00 -.293518876429E+00 -.300327162000E+00 -.307218030025E+00 -.314187327044E+00
|
|
2712
|
-
-.321230465884E+00 -.328342402656E+00 -.335517613167E+00 -.342750068781E+00 -.350033211779E+00
|
|
2713
|
-
-.357359930274E+00 -.364722532723E+00 -.372112722132E+00 -.379521570007E+00 -.386939490154E+00
|
|
2714
|
-
-.394356212416E+00 -.401760756465E+00 -.409141405769E+00 -.416485681852E+00 -.423780319021E+00
|
|
2715
|
-
-.431011239688E+00 -.438163530487E+00 -.445221419359E+00 -.452168253810E+00 -.458986480563E+00
|
|
2716
|
-
-.465657626843E+00 -.472162283531E+00 -.478480090474E+00 -.484589724215E+00 -.490468888456E+00
|
|
2717
|
-
-.496094307568E+00 -.501441723475E+00 -.506485896268E+00 -.511200608917E+00 -.515558676438E+00
|
|
2718
|
-
-.519531959944E+00 -.523091385948E+00 -.526206971370E+00 -.528847854651E+00 -.530982333417E+00
|
|
2719
|
-
-.532577909146E+00 -.533601339270E+00 -.534018697167E+00 -.533795440482E+00 -.532896488230E+00
|
|
2720
|
-
-.531286307091E+00 -.528929007331E+00 -.525788448738E+00 -.521828356938E+00 -.517012450450E+00
|
|
2721
|
-
-.511304578767E+00 -.504668871719E+00 -.497069900342E+00 -.488472849363E+00 -.478843701397E+00
|
|
2722
|
-
-.468149432814E+00 -.456358221173E+00 -.443439664010E+00 -.429365008615E+00 -.414107392337E+00
|
|
2723
|
-
-.397642092778E+00 -.379946787103E+00 -.361001819475E+00 -.340790475489E+00 -.319299262236E+00
|
|
2724
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-
-.296518192460E+00 -.272441071034E+00 -.247065781796E+00 -.220394572595E+00 -.192434336195E+00
|
|
2725
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-
-.163196884550E+00 -.132699213843E+00 -.100963757557E+00 -.680186248149E-01 -.338978211013E-01
|
|
2726
|
-
.135855161447E-02 .377041186439E-01 .750860840420E-01 .113445114533E+00 .152715262160E+00
|
|
2727
|
-
.192823934010E+00 .233691919821E+00 .275233490503E+00 .317356581059E+00 .359963068057E+00
|
|
2728
|
-
.402949141703E+00 .446205753754E+00 .489619095384E+00 .533071029215E+00 .576439377811E+00
|
|
2729
|
-
.619597971816E+00 .662416403218E+00 .704759532651E+00 .746486962326E+00 .787452833802E+00
|
|
2730
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-
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|
|
2731
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-
.100864426964E+01 .103996843681E+01 .106931533656E+01 .109654961415E+01 .112154380654E+01
|
|
2732
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-
.114417954033E+01 .116434871162E+01 .118195460778E+01 .119691294379E+01 .120915279293E+01
|
|
2733
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-
.121861739700E+01 .122526484286E+01 .122906859531E+01 .123001787992E+01 .122811791170E+01
|
|
2734
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-
.122338996456E+01 .121587122206E+01 .120561450733E+01 .119268800031E+01 .117717467855E+01
|
|
2735
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-
.115917166463E+01 .113878943344E+01 .111615090441E+01 .109139043143E+01 .106465270242E+01
|
|
2736
|
-
.103609156260E+01 .100586877700E+01
|
|
2737
|
-
pseudo wavefunction
|
|
2738
|
-
.735862945123E-05 .758678600448E-05 .782201662119E-05 .806454063486E-05 .831458417946E-05
|
|
2739
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-
.857238040033E-05 .883816967153E-05 .911219982001E-05 .939472635666E-05 .968601271455E-05
|
|
2740
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-
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|
|
2741
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-
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|
|
2742
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-
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|
|
2743
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-
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|
|
2744
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-
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|
|
2745
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-
.214253747822E-04 .220896750247E-04 .227745720944E-04 .234807046017E-04 .242087309573E-04
|
|
2746
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-
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|
|
2747
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-
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|
|
2748
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-
.338720831412E-04 .349222972294E-04 .360050735070E-04 .371214215727E-04 .382723823280E-04
|
|
2749
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-
.394590289477E-04 .406824678806E-04 .419438398807E-04 .432443210716E-04 .445851240424E-04
|
|
2750
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-
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|
|
2751
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-
.535494913330E-04 .552098088783E-04 .569216049999E-04 .586864757992E-04 .605060668647E-04
|
|
2752
|
-
.623820748063E-04 .643162488367E-04 .663103924026E-04 .683663648662E-04 .704860832385E-04
|
|
2753
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-
.726715239670E-04 .749247247780E-04 .772477865768E-04 .796428754063E-04 .821122244663E-04
|
|
2754
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-
.846581361959E-04 .872829844199E-04 .899892165617E-04 .927793559255E-04 .956560040485E-04
|
|
2755
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-
.986218431261E-04 .101679638513E-03 .104832241300E-03 .108082590975E-03 .111433718158E-03
|
|
2756
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-
.114888747432E-03 .118450900252E-03 .122123497950E-03 .125909964831E-03 .129813831364E-03
|
|
2757
|
-
.133838737473E-03 .137988435931E-03 .142266795859E-03 .146677806329E-03 .151225580086E-03
|
|
2758
|
-
.155914357380E-03 .160748509916E-03 .165732544933E-03 .170871109400E-03 .176168994352E-03
|
|
2759
|
-
.181631139349E-03 .187262637086E-03 .193068738133E-03 .199054855831E-03 .205226571338E-03
|
|
2760
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-
.211589638823E-03 .218149990836E-03 .224913743828E-03 .231887203854E-03 .239076872446E-03
|
|
2761
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-
.246489452672E-03 .254131855375E-03 .262011205616E-03 .270134849307E-03 .278510360054E-03
|
|
2762
|
-
.287145546207E-03 .296048458136E-03 .305227395723E-03 .314690916092E-03 .324447841574E-03
|
|
2763
|
-
.334507267919E-03 .344878572761E-03 .355571424351E-03 .366595790547E-03 .377961948091E-03
|
|
2764
|
-
.389680492170E-03 .401762346273E-03 .414218772344E-03 .427061381263E-03 .440302143632E-03
|
|
2765
|
-
.453953400912E-03 .468027876881E-03 .482538689469E-03 .497499362934E-03 .512923840429E-03
|
|
2766
|
-
.528826496946E-03 .545222152662E-03 .562126086688E-03 .579554051251E-03 .597522286296E-03
|
|
2767
|
-
.616047534549E-03 .635147057030E-03 .654838649045E-03 .675140656668E-03 .696071993720E-03
|
|
2768
|
-
.717652159275E-03 .739901255683E-03 .762840007160E-03 .786489778930E-03 .810872596947E-03
|
|
2769
|
-
.836011168223E-03 .861928901765E-03 .888649930140E-03 .916199131699E-03 .944602153463E-03
|
|
2770
|
-
.973885434697E-03 .100407623119E-02 .103520264027E-02 .106729362654E-02 .110037904841E-02
|
|
2771
|
-
.113448968540E-02 .116965726624E-02 .120591449783E-02 .124329509502E-02 .128183381127E-02
|
|
2772
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-
.132156647020E-02 .136252999809E-02 .140476245728E-02 .144830308054E-02 .149319230642E-02
|
|
2773
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-
.153947181565E-02 .158718456849E-02 .163637484322E-02 .168708827564E-02 .173937189969E-02
|
|
2774
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-
.179327418920E-02 .184884510075E-02 .190613611771E-02 .196520029549E-02 .202609230790E-02
|
|
2775
|
-
.208886849483E-02 .215358691106E-02 .222030737645E-02 .228909152723E-02 .236000286870E-02
|
|
2776
|
-
.243310682910E-02 .250847081487E-02 .258616426711E-02 .266625871938E-02 .274882785677E-02
|
|
2777
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-
.283394757620E-02 .292169604809E-02 .301215377914E-02 .310540367640E-02 .320153111256E-02
|
|
2778
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-
.330062399224E-02 .340277281956E-02 .350807076657E-02 .361661374278E-02 .372850046548E-02
|
|
2779
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-
.384383253091E-02 .396271448609E-02 .408525390119E-02 .421156144235E-02 .434175094470E-02
|
|
2780
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-
.447593948551E-02 .461424745714E-02 .475679863964E-02 .490372027271E-02 .505514312671E-02
|
|
2781
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-
.521120157241E-02 .537203364910E-02 .553778113060E-02 .570858958884E-02 .588460845429E-02
|
|
2782
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-
.606599107286E-02 .625289475855E-02 .644548084111E-02 .664391470801E-02 .684836583975E-02
|
|
2783
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-
.705900783768E-02 .727601844316E-02 .749957954691E-02 .772987718729E-02 .796710153609E-02
|
|
2784
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-
.821144687015E-02 .846311152719E-02 .872229784387E-02 .898921207402E-02 .926406428459E-02
|
|
2785
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-
.954706822693E-02 .983844118048E-02 .101384037658E-01 .104471797233E-01 .107649956547E-01
|
|
2786
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-
.110920807221E-01 .114286663004E-01 .117749855791E-01 .121312731066E-01 .124977642717E-01
|
|
2787
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-
.128746947159E-01 .132622996693E-01 .136608132014E-01 .140704673796E-01 .144914913244E-01
|
|
2788
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-
.149241101519E-01 .153685437924E-01 .158250056710E-01 .162937012394E-01 .167748263408E-01
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|
2789
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-
.172685653939E-01 .177750893775E-01 .182945535955E-01 .188270952015E-01 .193728304599E-01
|
|
2790
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-
.199318517177E-01 .205042240583E-01 .210899816092E-01 .216891234673E-01 .223016092083E-01
|
|
2791
|
-
.229273539391E-01 .235662228505E-01 .242180252237E-01 .248825078389E-01 .255593477305E-01
|
|
2792
|
-
.262481442289E-01 .269484102220E-01 .276595625659E-01 .283809115667E-01 .291116494488E-01
|
|
2793
|
-
.298508377183E-01 .305973933236E-01 .313500735040E-01 .321074592115E-01 .328679369809E-01
|
|
2794
|
-
.336296791113E-01 .343906220155E-01 .351484425783E-01 .359005323571E-01 .366439694420E-01
|
|
2795
|
-
.373754877846E-01 .380914437858E-01 .387877799248E-01 .394599851944E-01 .401030520943E-01
|
|
2796
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-
.407114299226E-01 .412789740899E-01 .417988911696E-01 .422636793875E-01 .426650642444E-01
|
|
2797
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-
.429939289590E-01 .432402394178E-01 .433929633201E-01 .434399832162E-01 .433680031562E-01
|
|
2798
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-
.431624486961E-01 .428073600492E-01 .422852782379E-01 .415771241808E-01 .406620707664E-01
|
|
2799
|
-
.395174081164E-01 .381184024319E-01 .364381490753E-01 .344474208552E-01 .321145128970E-01
|
|
2800
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-
.294050859945E-01 .262820109869E-01 .227052175150E-01 .186315515129E-01 .140146470357E-01
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|
2801
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.880481954667E-02 .294898965598E-02 -.360935143339E-02 -.109301207776E-01 -.190765495701E-01
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|
2802
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-
-.281149948796E-01 -.381146314968E-01 -.491469928160E-01 -.612853235590E-01 -.746037002644E-01
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|
2803
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-
-.891758678479E-01 -.105073732369E+00 -.122365441682E+00 -.141112977344E+00 -.161339511523E+00
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|
2804
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-
-.183167958120E+00 -.206646321030E+00 -.231858704318E+00 -.258894534060E+00 -.287849439288E+00
|
|
2805
|
-
-.318826294059E+00 -.351936448061E+00
|
|
2806
|
-
ae wavefunction
|
|
2807
|
-
-.226572041105E-04 -.233584769905E-04 -.240814466296E-04 -.248267837682E-04 -.255951798479E-04
|
|
2808
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-
-.263873476484E-04 -.272040219437E-04 -.280459601783E-04 -.289139431640E-04 -.298087757983E-04
|
|
2809
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-.307312878041E-04 -.316823344924E-04 -.326627975483E-04 -.336735858404E-04 -.347156362556E-04
|
|
2810
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-.357899145584E-04 -.368974162769E-04 -.380391676160E-04 -.392162263972E-04 -.404296830281E-04
|
|
2811
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-.416806615008E-04 -.429703204204E-04 -.442998540648E-04 -.456704934766E-04 -.470835075882E-04
|
|
2812
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-
-.485402043802E-04 -.500419320755E-04 -.515900803696E-04 -.531860816964E-04 -.548314125345E-04
|
|
2813
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-
-.565275947505E-04 -.582761969846E-04 -.600788360762E-04 -.619371785332E-04 -.638529420454E-04
|
|
2814
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-
-.658278970425E-04 -.678638682993E-04 -.699627365888E-04 -.721264403839E-04 -.743569776111E-04
|
|
2815
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-
-.766564074549E-04 -.790268522172E-04 -.814704992309E-04 -.839896028307E-04 -.865864863820E-04
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|
2816
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-
-.892635443700E-04 -.920232445505E-04 -.948681301630E-04 -.978008222109E-04 -.100824021807E-03
|
|
2817
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-
-.103940512588E-03 -.107153163200E-03 -.110464929857E-03 -.113878858974E-03 -.117398089873E-03
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|
2818
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-
-.121025857574E-03 -.124765495663E-03 -.128620439243E-03 -.132594227967E-03 -.136690509169E-03
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|
2819
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-
-.140913041070E-03 -.145265696087E-03 -.149752464235E-03 -.154377456615E-03 -.159144909020E-03
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|
2820
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-
-.164059185623E-03 -.169124782783E-03 -.174346332955E-03 -.179728608701E-03 -.185276526827E-03
|
|
2821
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-
-.190995152624E-03 -.196889704228E-03 -.202965557109E-03 -.209228248668E-03 -.215683482977E-03
|
|
2822
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-
-.222337135633E-03 -.229195258753E-03 -.236264086103E-03 -.243550038354E-03 -.251059728499E-03
|
|
2823
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-
-.258799967389E-03 -.266777769438E-03 -.275000358459E-03 -.283475173665E-03 -.292209875820E-03
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|
2824
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-
-.301212353546E-03 -.310490729798E-03 -.320053368494E-03 -.329908881321E-03 -.340066134702E-03
|
|
2825
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-
-.350534256941E-03 -.361322645541E-03 -.372440974697E-03 -.383899202974E-03 -.395707581162E-03
|
|
2826
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-
-.407876660316E-03 -.420417299989E-03 -.433340676640E-03 -.446658292249E-03 -.460381983105E-03
|
|
2827
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-
-.474523928806E-03 -.489096661433E-03 -.504113074939E-03 -.519586434716E-03 -.535530387366E-03
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|
2828
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-
-.551958970668E-03 -.568886623736E-03 -.586328197370E-03 -.604298964608E-03 -.622814631452E-03
|
|
2829
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-
-.641891347801E-03 -.661545718556E-03 -.681794814909E-03 -.702656185814E-03 -.724147869623E-03
|
|
2830
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-
-.746288405893E-03 -.769096847348E-03 -.792592772004E-03 -.816796295418E-03 -.841728083090E-03
|
|
2831
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-
-.867409362980E-03 -.893861938127E-03 -.921108199390E-03 -.949171138242E-03 -.978074359653E-03
|
|
2832
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-
-.100784209502E-02 -.103849921509E-02 -.107007124300E-02 -.110258436712E-02 -.113606545404E-02
|
|
2833
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-
-.117054206140E-02 -.120604245057E-02 -.124259559937E-02 -.128023121441E-02 -.131897974342E-02
|
|
2834
|
-
-.135887238717E-02 -.139994111125E-02 -.144221865741E-02 -.148573855456E-02 -.153053512929E-02
|
|
2835
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-
-.157664351594E-02 -.162409966605E-02 -.167294035720E-02 -.172320320117E-02 -.177492665124E-02
|
|
2836
|
-
-.182815000870E-02 -.188291342832E-02 -.193925792283E-02 -.199722536620E-02 -.205685849567E-02
|
|
2837
|
-
-.211820091237E-02 -.218129708044E-02 -.224619232454E-02 -.231293282548E-02 -.238156561402E-02
|
|
2838
|
-
-.245213856253E-02 -.252470037435E-02 -.259930057075E-02 -.267598947523E-02 -.275481819501E-02
|
|
2839
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-
-.283583859939E-02 -.291910329493E-02 -.300466559702E-02 -.309257949769E-02 -.318289962940E-02
|
|
2840
|
-
-.327568122449E-02 -.337098006994E-02 -.346885245724E-02 -.356935512698E-02 -.367254520773E-02
|
|
2841
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-
-.377848014896E-02 -.388721764759E-02 -.399881556767E-02 -.411333185282E-02 -.423082443107E-02
|
|
2842
|
-
-.435135111139E-02 -.447496947168E-02 -.460173673752E-02 -.473170965122E-02 -.486494433054E-02
|
|
2843
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-
-.500149611656E-02 -.514141941006E-02 -.528476749571E-02 -.543159235346E-02 -.558194445647E-02
|
|
2844
|
-
-.573587255478E-02 -.589342344399E-02 -.605464171821E-02 -.621956950652E-02 -.638824619201E-02
|
|
2845
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-
-.656070811265E-02 -.673698824313E-02 -.691711585665E-02 -.710111616597E-02 -.728900994259E-02
|
|
2846
|
-
-.748081311330E-02 -.767653633295E-02 -.787618453271E-02 -.807975644264E-02 -.828724408779E-02
|
|
2847
|
-
-.849863225670E-02 -.871389794145E-02 -.893300974835E-02 -.915592727821E-02 -.938260047542E-02
|
|
2848
|
-
-.961296894498E-02 -.984696123664E-02 -.100844940954E-01 -.103254716775E-01 -.105697847322E-01
|
|
2849
|
-
-.108173097470E-01 -.110679080580E-01 -.113214249239E-01 -.115776885635E-01 -.118365091573E-01
|
|
2850
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-
-.120976778129E-01 -.123609654950E-01 -.126261219204E-01 -.128928744186E-01 -.131609267605E-01
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2851
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-
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|
2852
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-
-.147766710692E-01 -.150432892892E-01 -.153078394240E-01 -.155697560868E-01 -.158284373280E-01
|
|
2853
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-
-.160832432931E-01 -.163334948969E-01 -.165784725217E-01 -.168174147494E-01 -.170495171376E-01
|
|
2854
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-
-.172739310504E-01 -.174897625571E-01 -.176960714114E-01 -.178918701269E-01 -.180761231640E-01
|
|
2855
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-
-.182477462466E-01 -.184056058274E-01 -.185485187217E-01 -.186752519331E-01 -.187845226940E-01
|
|
2856
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-
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|
|
2857
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-
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|
|
2858
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-
-.184196854912E-01 -.182025899116E-01 -.179474225356E-01 -.176524030708E-01 -.173157505332E-01
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|
2859
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|
|
2860
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|
|
2861
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-
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|
|
2862
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-
-.498498195587E-02 -.372590462460E-02 -.240834669523E-02 -.103353266177E-02 .396889920798E-03
|
|
2863
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-
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|
|
2864
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-
.999150337596E-02 .117209389645E-01 .134725582689E-01 .152389586595E-01 .170118547355E-01
|
|
2865
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|
|
2866
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|
|
2867
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-
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|
|
2868
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-
.353060433997E-01 .348215803203E-01 .339843650045E-01 .327594360211E-01 .311101681687E-01
|
|
2869
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-
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|
|
2870
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.100487790979E-01 .426878194595E-02 -.228567770311E-02 -.966518319587E-02 -.179217950713E-01
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|
2871
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|
2872
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-
-.889906785727E-01 -.104977676535E+00 -.122318223456E+00 -.141081456480E+00 -.161339511523E+00
|
|
2873
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|
|
2874
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-
-.318826294059E+00 -.351936448061E+00
|
|
2875
|
-
pseudo wavefunction
|
|
2876
|
-
.752719428046E-08 .800119630780E-08 .850504716233E-08 .904062648258E-08 .960993227157E-08
|
|
2877
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-
.102150883504E-07 .108583522815E-07 .115421237900E-07 .122689537168E-07 .130415535340E-07
|
|
2878
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-
.138628054601E-07 .147357732130E-07 .156637134385E-07 .166500878597E-07 .176985761914E-07
|
|
2879
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.188130898667E-07 .199977866297E-07 .212570860453E-07 .225956859872E-07 .240185801633E-07
|
|
2880
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-
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|
|
2881
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-
.346479968893E-07 .368298484508E-07 .391490954348E-07 .416143898970E-07 .442349287299E-07
|
|
2882
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-
.470204879722E-07 .499814592785E-07 .531288886861E-07 .564745178223E-07 .600308277077E-07
|
|
2883
|
-
.638110853166E-07 .678293930704E-07 .721007414471E-07 .766410649039E-07 .814673013218E-07
|
|
2884
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-
.865974551923E-07 .920506647849E-07 .978472735422E-07 .104008905973E-06 .110558548323E-06
|
|
2885
|
-
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|
|
2886
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-
.159486204360E-06 .169529359471E-06 .180204951465E-06 .191552806107E-06 .203615257071E-06
|
|
2887
|
-
.216437303860E-06 .230066779680E-06 .244554529888E-06 .259954601667E-06 .276324445656E-06
|
|
2888
|
-
.293725130266E-06 .312221569504E-06 .331882765134E-06 .352782064088E-06 .374997432096E-06
|
|
2889
|
-
.398611744534E-06 .423713095594E-06 .450395126925E-06 .478757376966E-06 .508905652274E-06
|
|
2890
|
-
.540952422241E-06 .575017238663E-06 .611227181735E-06 .649717334122E-06 .690631284891E-06
|
|
2891
|
-
.734121665173E-06 .780350717560E-06 .829490901348E-06 .881725535907E-06 .937249484553E-06
|
|
2892
|
-
.996269881490E-06 .105900690453E-05 .112569459646E-05 .119658173815E-05 .127193277664E-05
|
|
2893
|
-
.135202881165E-05 .143716864422E-05 .152766989139E-05 .162387017108E-05 .172612836157E-05
|
|
2894
|
-
.183482594029E-05 .195036840691E-05 .207318679607E-05 .220373928532E-05 .234251290438E-05
|
|
2895
|
-
.249002535195E-05 .264682692700E-05 .281350258163E-05 .299067410322E-05 .317900243395E-05
|
|
2896
|
-
.337919013646E-05 .359198401468E-05 .381817789976E-05 .405861561137E-05 .431419410555E-05
|
|
2897
|
-
.458586682070E-05 .487464723428E-05 .518161264353E-05 .550790818417E-05 .585475110219E-05
|
|
2898
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-
.622343529466E-05 .661533613640E-05 .703191561061E-05 .747472776256E-05 .794542449667E-05
|
|
2899
|
-
.844576173863E-05 .897760598551E-05 .954294126830E-05 .101438765529E-04 .107826536069E-04
|
|
2900
|
-
.114616553621E-04 .121834148033E-04 .129506244166E-04 .137661462328E-04 .146330225035E-04
|
|
2901
|
-
.155544870485E-04 .165339773187E-04 .175751472175E-04 .186818807302E-04 .198583064113E-04
|
|
2902
|
-
.211088127832E-04 .224380647059E-04 .238510207755E-04 .253529518192E-04 .269494605547E-04
|
|
2903
|
-
.286465024862E-04 .304504081168E-04 .323679065592E-04 .344061506320E-04 .365727435364E-04
|
|
2904
|
-
.388757672118E-04 .413238124766E-04 .439260110656E-04 .466920696844E-04 .496323062073E-04
|
|
2905
|
-
.527576881527E-04 .560798735809E-04 .596112545650E-04 .633650033981E-04 .673551217078E-04
|
|
2906
|
-
.715964926615E-04 .761049364567E-04 .808972693025E-04 .859913661125E-04 .914062271414E-04
|
|
2907
|
-
.971620488140E-04 .103280299010E-03 .109783797083E-03 .116696798916E-03 .124045087321E-03
|
|
2908
|
-
.131856068127E-03 .140158872313E-03 .148984464555E-03 .158365758604E-03 .168337739914E-03
|
|
2909
|
-
.178937595983E-03 .190204854878E-03 .202181532469E-03 .214912288919E-03 .228444594999E-03
|
|
2910
|
-
.242828908852E-03 .258118863863E-03 .274371468320E-03 .291647317615E-03 .310010819768E-03
|
|
2911
|
-
.329530435097E-03 .350278930937E-03 .372333652329E-03 .395776809695E-03 .420695784541E-03
|
|
2912
|
-
.447183454334E-03 .475338537729E-03 .505265961433E-03 .537077250032E-03 .570890940240E-03
|
|
2913
|
-
.606833021058E-03 .645037401480E-03 .685646407434E-03 .728811309798E-03 .774692885393E-03
|
|
2914
|
-
.823462013008E-03 .875300306628E-03 .930400788153E-03 .988968602056E-03 .105122177456E-02
|
|
2915
|
-
.111739202006E-02 .118772559777E-02 .126248422151E-02 .134194602612E-02 .142640659375E-02
|
|
2916
|
-
.151618004382E-02 .161160019046E-02 .171302177156E-02 .182082175379E-02 .193540071814E-02
|
|
2917
|
-
.205718433086E-02 .218662490495E-02 .232420305764E-02 .247042946955E-02 .262584675166E-02
|
|
2918
|
-
.279103142639E-02 .296659602969E-02 .315319134107E-02 .335150874924E-02 .356228276116E-02
|
|
2919
|
-
.378629366288E-02 .402437034083E-02 .427739327291E-02 .454629769887E-02 .483207698023E-02
|
|
2920
|
-
.513578616031E-02 .545854573556E-02 .580154564967E-02 .616604952287E-02 .655339912882E-02
|
|
2921
|
-
.696501913249E-02 .740242210266E-02 .786721381338E-02 .836109884895E-02 .888588652794E-02
|
|
2922
|
-
.944349716175E-02 .100359686639E-01 .106654635265E-01 .113342761811E-01 .120448407607E-01
|
|
2923
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-
.127997392801E-01 .136017102525E-01 .144536577591E-01 .153586609900E-01 .163199842712E-01
|
|
2924
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-
.173410875959E-01 .184256376752E-01 .195775195214E-01 .208008485788E-01 .220999834117E-01
|
|
2925
|
-
.234795389597E-01 .249444003671E-01 .264997373885E-01 .281510193717E-01 .299040308117E-01
|
|
2926
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-
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|
|
2927
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|
|
2928
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-
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|
|
2929
|
-
.779968573171E-01 .827544120297E-01 .877918896505E-01 .931244306450E-01 .987678193936E-01
|
|
2930
|
-
.104738487200E+00 .111053511131E+00 .117730607968E+00 .124788122441E+00 .132245008848E+00
|
|
2931
|
-
.140120805047E+00 .148435597689E+00 .157209977468E+00 .166464983021E+00 .176222031988E+00
|
|
2932
|
-
.186502837610E+00 .197329309109E+00 .208723433956E+00 .220707139986E+00 .233302135217E+00
|
|
2933
|
-
.246529723089E+00 .260410590747E+00 .274964567925E+00 .290210353926E+00 .306165210219E+00
|
|
2934
|
-
.322844616204E+00 .340261885864E+00 .358427743196E+00 .377349854688E+00 .397032317550E+00
|
|
2935
|
-
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|
|
2936
|
-
.530724706934E+00 .555416765883E+00 .580697865181E+00 .606510197624E+00 .632785301523E+00
|
|
2937
|
-
.659443335971E+00 .686392424025E+00 .713528094897E+00 .740732861455E+00 .767875974705E+00
|
|
2938
|
-
.794813402293E+00 .821388083182E+00 .847430515024E+00 .872759734073E+00 .897184748939E+00
|
|
2939
|
-
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|
|
2940
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.101340289413E+01 .102586865240E+01 .103590229006E+01 .104338284361E+01 .104822469013E+01
|
|
2941
|
-
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|
|
2942
|
-
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|
|
2943
|
-
.947756727288E+00 .929319727519E+00
|
|
2944
|
-
ae wavefunction
|
|
2945
|
-
.640429429005E-07 .679288664415E-07 .720176757151E-07 .763216951639E-07 .808539275259E-07
|
|
2946
|
-
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|
|
2947
|
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|
|
2948
|
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|
|
2949
|
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|
|
2950
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|
|
2951
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-
.345383998523E-06 .365100509955E-06 .385953957515E-06 .408011627009E-06 .431344851575E-06
|
|
2952
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-
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|
|
2953
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|
|
2954
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|
|
2955
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-
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|
|
2956
|
-
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|
|
2957
|
-
.186256825280E-05 .197183956692E-05 .208764378631E-05 .221037853433E-05 .234046595954E-05
|
|
2958
|
-
.247835426776E-05 .262451934036E-05 .277946645469E-05 .294373211816E-05 .311788600808E-05
|
|
2959
|
-
.330253303842E-05 .349831555477E-05 .370591566128E-05 .392605770191E-05 .415951088503E-05
|
|
2960
|
-
.440709208311E-05 .466966879743E-05 .494816231274E-05 .524355104865E-05 .555687411620E-05
|
|
2961
|
-
.588923510017E-05 .624180607320E-05 .661583186511E-05 .701263458975E-05 .743361846136E-05
|
|
2962
|
-
.788027491194E-05 .835418801287E-05 .885704025546E-05 .939061866862E-05 .995682133963E-05
|
|
2963
|
-
.105576643156E-04 .111952889574E-04 .118719697326E-04 .125901225053E-04 .133523133272E-04
|
|
2964
|
-
.141612677908E-04 .150198809481E-04 .159312278514E-04 .168985747490E-04 .179253909717E-04
|
|
2965
|
-
.190153615529E-04 .201724006418E-04 .214006657309E-04 .227045727753E-04 .240888122474E-04
|
|
2966
|
-
.255583661726E-04 .271185262327E-04 .287749129758E-04 .305334962167E-04 .324006166971E-04
|
|
2967
|
-
.343830090765E-04 .364878263442E-04 .387226657324E-04 .410955962248E-04 .436151877554E-04
|
|
2968
|
-
.462905422051E-04 .491313262983E-04 .521478065204E-04 .553508861768E-04 .587521447219E-04
|
|
2969
|
-
.623638794964E-04 .661991500184E-04 .702718249799E-04 .745966321174E-04 .791892111204E-04
|
|
2970
|
-
.840661697672E-04 .892451434856E-04 .947448585163E-04 .100585198944E-03 .106787277772E-03
|
|
2971
|
-
.113373512325E-03 .120367704199E-03 .127795124066E-03 .135682601595E-03 .144058620795E-03
|
|
2972
|
-
.152953421103E-03 .162399104564E-03 .172429749434E-03 .183081530622E-03 .194392847318E-03
|
|
2973
|
-
.206404458280E-03 .219159625186E-03 .232704264531E-03 .247087108563E-03 .262359875782E-03
|
|
2974
|
-
.278577451539E-03 .295798079327E-03 .314083563357E-03 .333499483083E-03 .354115420329E-03
|
|
2975
|
-
.376005199738E-03 .399247143299E-03 .423924339730E-03 .450124929549E-03 .477942406694E-03
|
|
2976
|
-
.507475937626E-03 .538830698858E-03 .572118233919E-03 .607456830819E-03 .644971921118E-03
|
|
2977
|
-
.684796501772E-03 .727071580941E-03 .771946649086E-03 .819580176639E-03 .870140139677E-03
|
|
2978
|
-
.923804575034E-03 .980762166386E-03 .104121286289E-02 .110536853207E-02 .117345364856E-02
|
|
2979
|
-
.124570602070E-02 .132237755666E-02 .140373507214E-02 .149006114159E-02 .158165499519E-02
|
|
2980
|
-
.167883346354E-02 .178193197247E-02 .189130559019E-02 .200733012925E-02 .213040330565E-02
|
|
2981
|
-
.226094595780E-02 .239940332768E-02 .254624640719E-02 .270197335207E-02 .286711096645E-02
|
|
2982
|
-
.304221626067E-02 .322787808533E-02 .342471884451E-02 .363339629100E-02 .385460540656E-02
|
|
2983
|
-
.408908037018E-02 .433759661725E-02 .460097299261E-02 .488007400034E-02 .517581215313E-02
|
|
2984
|
-
.548915042405E-02 .582110480324E-02 .617274696218E-02 .654520702784E-02 .693967646891E-02
|
|
2985
|
-
.735741109610E-02 .779973417814E-02 .826803967501E-02 .876379558932E-02 .928854743668E-02
|
|
2986
|
-
.984392183507E-02 .104316302132E-01 .110534726369E-01 .117113417517E-01 .124072268404E-01
|
|
2987
|
-
.131432179919E-01 .139215103773E-01 .147444086296E-01 .156143313200E-01 .165338155251E-01
|
|
2988
|
-
.175055214760E-01 .185322372799E-01 .196168837038E-01 .207625190078E-01 .219723438127E-01
|
|
2989
|
-
.232497059874E-01 .245981055373E-01 .260211994735E-01 .275228066405E-01 .291069124782E-01
|
|
2990
|
-
.307776736898E-01 .325394227865E-01 .343966724760E-01 .363541198573E-01 .384166503852E-01
|
|
2991
|
-
.405893415594E-01 .428774662942E-01 .452864959165E-01 .478221027420E-01 .504901621680E-01
|
|
2992
|
-
.532967542244E-01 .562481645147E-01 .593508844783E-01 .626116108976E-01 .660372445724E-01
|
|
2993
|
-
.696348880761E-01 .734118425068E-01 .773756031387E-01 .815338538776E-01 .858944604176E-01
|
|
2994
|
-
.904654619937E-01 .952550616190E-01 .100271614693E+00 .105523615866E+00 .111019684031E+00
|
|
2995
|
-
.116768545334E+00 .122779014065E+00 .129059971313E+00 .135620341255E+00 .142469064955E+00
|
|
2996
|
-
.149615071557E+00 .157067246749E+00 .164834398377E+00 .172925219130E+00 .181348246165E+00
|
|
2997
|
-
.190111817621E+00 .199224025932E+00 .208692667893E+00 .218525191447E+00 .228728639193E+00
|
|
2998
|
-
.239309588619E+00 .250274089115E+00 .261627595863E+00 .273374900706E+00 .285520060165E+00
|
|
2999
|
-
.298066320820E+00 .311016042286E+00 .324370618105E+00 .338130394874E+00 .352294590025E+00
|
|
3000
|
-
.366861208654E+00 .381826959899E+00 .397187173321E+00 .412935715828E+00 .429064909636E+00
|
|
3001
|
-
.445565451806E+00 .462426335877E+00 .479634776181E+00 .497176135491E+00 .515033856892E+00
|
|
3002
|
-
.533189401121E+00 .551622191297E+00 .570309567985E+00 .589226758968E+00 .608346869990E+00
|
|
3003
|
-
.627640904765E+00 .647077824211E+00 .666624655098E+00 .686246655336E+00 .705907534859E+00
|
|
3004
|
-
.725569715621E+00 .745194591415E+00 .764742721765E+00 .784173872347E+00 .803446808998E+00
|
|
3005
|
-
.822518775846E+00 .841344653967E+00 .859875917839E+00 .878059667690E+00 .895838125352E+00
|
|
3006
|
-
.913148895250E+00 .929925976803E+00 .946101173467E+00 .961605457606E+00 .976370045098E+00
|
|
3007
|
-
.990327156086E+00 .100341053477E+01 .101555584019E+01 .102670102216E+01 .103678674259E+01
|
|
3008
|
-
.104575684063E+01 .105355881005E+01 .106014426008E+01 .106546934371E+01 .106949514441E+01
|
|
3009
|
-
.107218801574E+01 .107351986956E+01 .107346840999E+01 .107201731237E+01 .106915634733E+01
|
|
3010
|
-
.106488144808E+01 .105919467004E+01 .105210412826E+01 .104362400497E+01 .103377439659E+01
|
|
3011
|
-
.102258115557E+01 .101007568235E+01 .996294684651E+00 .981279909285E+00 .965077850452E+00
|
|
3012
|
-
.947739440248E+00 .929319727519E+00
|
|
3013
|
-
pseudo wavefunction
|
|
3014
|
-
.225950064618E-08 .240178578505E-08 .255303089506E-08 .271380020297E-08 .288469346600E-08
|
|
3015
|
-
.306634820920E-08 .325944210386E-08 .346469549551E-08 .368287409123E-08 .391479181618E-08
|
|
3016
|
-
.416131384994E-08 .442335985414E-08 .470190740327E-08 .499799563158E-08 .531272910961E-08
|
|
3017
|
-
.564728196485E-08 .600290226187E-08 .638091665826E-08 .678273535381E-08 .720985735134E-08
|
|
3018
|
-
.766387604872E-08 .814648518321E-08 .865948514994E-08 .920478971842E-08 .978443317190E-08
|
|
3019
|
-
.104005778964E-07 .110555224474E-07 .117517101252E-07 .124917380889E-07 .132783670463E-07
|
|
3020
|
-
.141145315518E-07 .150033509545E-07 .159481410350E-07 .169524263749E-07 .180199535054E-07
|
|
3021
|
-
.191547048839E-07 .203609137511E-07 .216430799225E-07 .230059865760E-07 .244547180951E-07
|
|
3022
|
-
.259946790368E-07 .276316142931E-07 .293716305231E-07 .312212189337E-07 .331872794953E-07
|
|
3023
|
-
.352771466828E-07 .374986168367E-07 .398599772478E-07 .423700370734E-07 .450381601999E-07
|
|
3024
|
-
.478743001752E-07 .508890373410E-07 .540936183029E-07 .574999978861E-07 .611208837337E-07
|
|
3025
|
-
.649697837126E-07 .690610563052E-07 .734099641740E-07 .780327310997E-07 .829466025041E-07
|
|
3026
|
-
.881699097851E-07 .937221387019E-07 .996240020677E-07 .105897517019E-06 .112566087150E-06
|
|
3027
|
-
.119654589824E-06 .127189468973E-06 .135198833752E-06 .143712563400E-06 .152762418702E-06
|
|
3028
|
-
.162382160476E-06 .172607675518E-06 .183477110476E-06 .195031014158E-06 .207312488797E-06
|
|
3029
|
-
.220367350848E-06 .234244301904E-06 .248995110376E-06 .264674804615E-06 .281341878197E-06
|
|
3030
|
-
.299058508129E-06 .317890786802E-06 .337908968545E-06 .359187731707E-06 .381806457245E-06
|
|
3031
|
-
.405849524848E-06 .431406627713E-06 .458573107144E-06 .487450308212E-06 .518145957822E-06
|
|
3032
|
-
.550774566578E-06 .585457855958E-06 .622325212385E-06 .661514169892E-06 .703170923178E-06
|
|
3033
|
-
.747450872974E-06 .794519205746E-06 .844551509901E-06 .897734430800E-06 .954266367003E-06
|
|
3034
|
-
.101435821037E-05 .107823413275E-05 .114613242223E-05 .121830637198E-05 .129502522516E-05
|
|
3035
|
-
.137657517922E-05 .146326045352E-05 .155540442413E-05 .165335083009E-05 .175746505559E-05
|
|
3036
|
-
.186813549298E-05 .198577499147E-05 .211082239712E-05 .224374418978E-05 .238503622310E-05
|
|
3037
|
-
.253522557405E-05 .269487250893E-05 .286457257315E-05 .304495881256E-05 .323670413462E-05
|
|
3038
|
-
.344052381829E-05 .365717818182E-05 .388747541858E-05 .413227461139E-05 .439248893657E-05
|
|
3039
|
-
.466908906974E-05 .496310680597E-05 .527563890783E-05 .560785119569E-05 .596098289540E-05
|
|
3040
|
-
.633635125971E-05 .673535648052E-05 .715948691030E-05 .761032461220E-05 .808955125934E-05
|
|
3041
|
-
.859895440543E-05 .914043415003E-05 .971601022313E-05 .103278295157E-04 .109781740837E-04
|
|
3042
|
-
.116694696563E-04 .124042946789E-04 .131853899251E-04 .140156687135E-04 .148982277671E-04
|
|
3043
|
-
.158363587561E-04 .168335605657E-04 .178935523366E-04 .190202873246E-04 .202179676325E-04
|
|
3044
|
-
.214910598675E-04 .228443117834E-04 .242827699689E-04 .258117986473E-04 .274370996579E-04
|
|
3045
|
-
.291647336936E-04 .310011428717E-04 .329531747233E-04 .350281076896E-04 .372336782190E-04
|
|
3046
|
-
.395781095657E-04 .420701423967E-04 .447190673191E-04 .475347594492E-04 .505277151501E-04
|
|
3047
|
-
.537090910741E-04 .570907456528E-04 .606852831888E-04 .645061007106E-04 .685674377633E-04
|
|
3048
|
-
.728844293180E-04 .774731619942E-04 .823507338012E-04 .875353176173E-04 .930462286392E-04
|
|
3049
|
-
.989039960482E-04 .105130439155E-03 .111748748297E-03 .118783570794E-03 .126261102253E-03
|
|
3050
|
-
.134209183578E-03 .142657404022E-03 .151637210649E-03 .161182024616E-03 .171327364680E-03
|
|
3051
|
-
.182110978383E-03 .193572981372E-03 .205756005367E-03 .218705355293E-03 .232469176134E-03
|
|
3052
|
-
.247098630112E-03 .262648084793E-03 .279175312802E-03 .296741703835E-03 .315412489712E-03
|
|
3053
|
-
.335256983243E-03 .356348831739E-03 .378766286039E-03 .402592485969E-03 .427915763191E-03
|
|
3054
|
-
.454829962490E-03 .483434782543E-03 .513836137330E-03 .546146539356E-03 .580485505960E-03
|
|
3055
|
-
.616979989999E-03 .655764836321E-03 .696983265442E-03 .740787385975E-03 .787338737368E-03
|
|
3056
|
-
.836808864639E-03 .889379926810E-03 .945245340867E-03 .100461046310E-02 .106769330979E-02
|
|
3057
|
-
.113472531923E-02 .120595215719E-02 .128163456801E-02 .136204927337E-02 .144748992127E-02
|
|
3058
|
-
.153826808722E-02 .163471433027E-02 .173717930600E-02 .184603493911E-02 .196167565770E-02
|
|
3059
|
-
.208451969191E-02 .221501043889E-02 .235361789669E-02 .250084016887E-02 .265720504200E-02
|
|
3060
|
-
.282327163776E-02 .299963214122E-02 .318691360650E-02 .338577984072E-02 .359693336658E-02
|
|
3061
|
-
.382111746357E-02 .405911828695E-02 .431176706294E-02 .457994235784E-02 .486457241741E-02
|
|
3062
|
-
.516663757191E-02 .548717270063E-02 .582726974808E-02 .618808028218E-02 .657081808243E-02
|
|
3063
|
-
.697676174378E-02 .740725727868E-02 .786372069683E-02 .834764053806E-02 .886058032973E-02
|
|
3064
|
-
.940418093503E-02 .998016275303E-02 .105903277252E-01 .112365610956E-01 .119208328655E-01
|
|
3065
|
-
.126451988710E-01 .134118014063E-01 .142228693013E-01 .150807173494E-01 .159877449694E-01
|
|
3066
|
-
.169464339673E-01 .179593452494E-01 .190291143137E-01 .201584453324E-01 .213501036074E-01
|
|
3067
|
-
.226069061598E-01 .239317101842E-01 .253273990663E-01 .267968656310E-01 .283429922496E-01
|
|
3068
|
-
.299686273941E-01 .316765581880E-01 .334694784514E-01 .353499516961E-01 .373203684705E-01
|
|
3069
|
-
.393828974037E-01 .415394292439E-01 .437915131264E-01 .461402842571E-01 .485863821358E-01
|
|
3070
|
-
.511298583969E-01 .537700732937E-01 .565055798151E-01 .593339943890E-01 .622518531134E-01
|
|
3071
|
-
.652544524511E-01 .683356733507E-01 .714877878019E-01 .747012469233E-01 .779644498007E-01
|
|
3072
|
-
.812634924782E-01 .845818967378E-01 .879003186118E-01 .911962369652E-01 .944436229659E-01
|
|
3073
|
-
.976125918523E-01 .100669039114E+00 .103574264040E+00 .106284584554E+00 .108750948383E+00
|
|
3074
|
-
.110918546866E+00 .112726439092E+00 .114107195616E+00 .114986572585E+00 .115283228832E+00
|
|
3075
|
-
.114908500130E+00 .113766246434E+00 .111752789297E+00 .108756957733E+00 .104660261321E+00
|
|
3076
|
-
.993372091654E-01 .926557921458E-01 .844781434668E-01 .746613884879E-01 .630586889334E-01
|
|
3077
|
-
.495204784937E-01 .338958763517E-01 .160342521669E-01 -.421309935199E-02 -.269912335634E-01
|
|
3078
|
-
-.524398585134E-01 -.806917610713E-01 -.111871468150E+00 -.146094264190E+00 -.183465685179E+00
|
|
3079
|
-
-.224081592066E+00 -.268028884918E+00 -.315386844493E+00 -.366228969604E+00 -.420625005643E+00
|
|
3080
|
-
-.478642621240E+00 -.540347877897E+00 -.605803248077E+00 -.675061476398E+00 -.748153065650E+00
|
|
3081
|
-
-.825064644687E+00 -.905698322242E+00
|
|
3082
|
-
ae wavefunction
|
|
3083
|
-
.218830387599E-07 .232108453565E-07 .246079770717E-07 .260786451430E-07 .276272925805E-07
|
|
3084
|
-
.292586085924E-07 .309775438847E-07 .327893268447E-07 .346994807172E-07 .367138417473E-07
|
|
3085
|
-
.388385784286E-07 .410802119257E-07 .434456376798E-07 .459421483355E-07 .485774580516E-07
|
|
3086
|
-
.513597282773E-07 .542975950921E-07 .574001982078E-07 .606772117407E-07 .641388768442E-07
|
|
3087
|
-
.677960363677E-07 .716601716115E-07 .757434413195E-07 .800587231386E-07 .846196574972E-07
|
|
3088
|
-
.894406943758E-07 .945371427349E-07 .999252231383E-07 .105622123659E-06 .111646059055E-06
|
|
3089
|
-
.118016333857E-06 .124753409032E-06 .131878973186E-06 .139416017836E-06 .147388917476E-06
|
|
3090
|
-
.155823514619E-06 .164747210182E-06 .174189059318E-06 .184179873372E-06 .194752328001E-06
|
|
3091
|
-
.205941078269E-06 .217782880630E-06 .230316722650E-06 .243583960856E-06 .257628467014E-06
|
|
3092
|
-
.272496783605E-06 .288238288771E-06 .304905372633E-06 .322553622324E-06 .341242021170E-06
|
|
3093
|
-
.361033158324E-06 .381993452793E-06 .404193389707E-06 .427707774451E-06 .452615998776E-06
|
|
3094
|
-
.479002326304E-06 .506956195268E-06 .536572538520E-06 .567952126255E-06 .601201928101E-06
|
|
3095
|
-
.636435497848E-06 .673773383914E-06 .713343562583E-06 .755281901951E-06 .799732650385E-06
|
|
3096
|
-
.846848960037E-06 .896793439814E-06 .949738743241E-06 .100586819518E-05 .106537645465E-05
|
|
3097
|
-
.112847022107E-05 .119536898425E-05 .126630581951E-05 .134152823554E-05 .142129907119E-05
|
|
3098
|
-
.150589745216E-05 .159561980402E-05 .169078093015E-05 .179171515690E-05 .189877754890E-05
|
|
3099
|
-
.201234520143E-05 .213281861205E-05 .226062313942E-05 .239621055013E-05 .254006066443E-05
|
|
3100
|
-
.269268310478E-05 .285461914849E-05 .302644370282E-05 .320876739544E-05 .340223880253E-05
|
|
3101
|
-
.360754680695E-05 .382542311108E-05 .405664489965E-05 .430203767231E-05 .456247824741E-05
|
|
3102
|
-
.483889795814E-05 .513228604144E-05 .544369323993E-05 .577423562727E-05 .612509866968E-05
|
|
3103
|
-
.649754153830E-05 .689290169206E-05 .731259973940E-05 .775814460412E-05 .823113901130E-05
|
|
3104
|
-
.873328530801E-05 .926639164914E-05 .983237856121E-05 .104332859128E-04 .110712803154E-04
|
|
3105
|
-
.117486629793E-04 .124678780547E-04 .132315214854E-04 .140423504084E-04 .149032931303E-04
|
|
3106
|
-
.158174597181E-04 .167881532393E-04 .178188816923E-04 .189133706684E-04 .200755767895E-04
|
|
3107
|
-
.213097019684E-04 .226202085415E-04 .240118353261E-04 .254896146594E-04 .270588904749E-04
|
|
3108
|
-
.287253374820E-04 .304949815150E-04 .323742211135E-04 .343698504227E-04 .364890834772E-04
|
|
3109
|
-
.387395799596E-04 .411294725173E-04 .436673957330E-04 .463625168444E-04 .492245683168E-04
|
|
3110
|
-
.522638823772E-04 .554914276276E-04 .589188478546E-04 .625585031717E-04 .664235136190E-04
|
|
3111
|
-
.705278053745E-04 .748861597217E-04 .795142649355E-04 .844287712532E-04 .896473491096E-04
|
|
3112
|
-
.951887508233E-04 .101072875929E-03 .107320840369E-03 .113955049751E-03 .120999276924E-03
|
|
3113
|
-
.128478744085E-03 .136420209701E-03 .144852060495E-03 .153804408787E-03 .163309195479E-03
|
|
3114
|
-
.173400299008E-03 .184113650580E-03 .195487356033E-03 .207561824695E-03 .220379905602E-03
|
|
3115
|
-
.233987031489E-03 .248431370940E-03 .263763989162E-03 .280039017813E-03 .297313834369E-03
|
|
3116
|
-
.315649251519E-03 .335109717103E-03 .355763525138E-03 .377683038491E-03 .400944923775E-03
|
|
3117
|
-
.425630399084E-03 .451825495199E-03 .479621330910E-03 .509114403145E-03 .540406892604E-03
|
|
3118
|
-
.573606985627E-03 .608829213044E-03 .646194806792E-03 .685832075090E-03 .727876796992E-03
|
|
3119
|
-
.772472637170E-03 .819771581783E-03 .869934396315E-03 .923131106285E-03 .979541501746E-03
|
|
3120
|
-
.103935566649E-02 .110277453294E-02 .117001046355E-02 .124128785991E-02 .131684380019E-02
|
|
3121
|
-
.139692870611E-02 .148180704028E-02 .157175803480E-02 .166707645209E-02 .176807337866E-02
|
|
3122
|
-
.187507705286E-02 .198843372720E-02 .210850856597E-02 .223568657896E-02 .237037359155E-02
|
|
3123
|
-
.251299725196E-02 .266400807569E-02 .282388052757E-02 .299311414145E-02 .317223467728E-02
|
|
3124
|
-
.336179531546E-02 .356237788788E-02 .377459414481E-02 .399908705675E-02 .423653214983E-02
|
|
3125
|
-
.448763887306E-02 .475315199552E-02 .503385303093E-02 .533056168680E-02 .564413733475E-02
|
|
3126
|
-
.597548049803E-02 .632553435181E-02 .669528623113E-02 .708576914047E-02 .749806325855E-02
|
|
3127
|
-
.793329743080E-02 .839265064120E-02 .887735345419E-02 .938868941636E-02 .992799640643E-02
|
|
3128
|
-
.104966679208E-01 .110961542808E-01 .117279637467E-01 .123936635200E-01 .130948806189E-01
|
|
3129
|
-
.138333026026E-01 .146106781265E-01 .154288173015E-01 .162895918341E-01 .171949349168E-01
|
|
3130
|
-
.181468408413E-01 .191473642993E-01 .201986193375E-01 .213027779293E-01 .224620681208E-01
|
|
3131
|
-
.236787717099E-01 .249552214106E-01 .262937974541E-01 .276969235730E-01 .291670623130E-01
|
|
3132
|
-
.307067096133E-01 .323183885904E-01 .340046424620E-01 .357680265373E-01 .376110992021E-01
|
|
3133
|
-
.395364118200E-01 .415464974690E-01 .436438584273E-01 .458309523222E-01 .481101768477E-01
|
|
3134
|
-
.504838529586E-01 .529542064412E-01 .555233477622E-01 .581932500926E-01 .609657254039E-01
|
|
3135
|
-
.638423985301E-01 .668246790931E-01 .699137311853E-01 .731104407069E-01 .764153802584E-01
|
|
3136
|
-
.798287714901E-01 .833504448169E-01 .869797964127E-01 .907157424040E-01 .945566701920E-01
|
|
3137
|
-
.985003868422E-01 .102544064489E+00 .106684182718E+00 .110916467888E+00 .115235829393E+00
|
|
3138
|
-
.119636292836E+00 .124110930133E+00 .128651786550E+00 .133249804703E+00 .137894745523E+00
|
|
3139
|
-
.142575106244E+00 .147278035435E+00 .151989245144E+00 .156692920276E+00 .161371625367E+00
|
|
3140
|
-
.166006209110E+00 .170575707156E+00 .175057244086E+00 .179425935855E+00 .183654794587E+00
|
|
3141
|
-
.187714638103E+00 .191574006993E+00 .195199091867E+00 .198553672334E+00 .201599066592E+00
|
|
3142
|
-
.204294085987E+00 .206594982675E+00 .208455372101E+00 .209826107927E+00 .210655088680E+00
|
|
3143
|
-
.210886985588E+00 .210462902201E+00 .209320009408E+00 .207391237002E+00 .204605119535E+00
|
|
3144
|
-
.200885857364E+00 .196153566613E+00 .190324614108E+00 .183311928916E+00 .175025241888E+00
|
|
3145
|
-
.165371260985E+00 .154253811047E+00 .141573970775E+00 .127230233939E+00 .111118706778E+00
|
|
3146
|
-
.931333411317E-01 .731661994706E-01 .511077505225E-01 .268471978794E-01 .272846085336E-03
|
|
3147
|
-
-.287274896595E-01 -.602660227869E-01 -.944544748618E-01 -.131403485295E+00 -.171221940028E+00
|
|
3148
|
-
-.214016206328E+00 -.259889248389E+00 -.308939620544E+00 -.361260345988E+00 -.416937621778E+00
|
|
3149
|
-
-.476049357154E+00 -.538663517215E+00 -.604836256616E+00 -.674609823816E+00 -.748010218132E+00
|
|
3150
|
-
-.825044583035E+00 -.905698322242E+00
|
|
3151
|
-
End of Dataset
|