vasprocar 1.1.19.128__tar.gz → 1.1.19.129__tar.gz

{vasprocar-1.1.19.128/vasprocar.egg-info → vasprocar-1.1.19.129}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.128
+Version: 1.1.19.129
 Summary: VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.
 Home-page: https://doi.org/10.5281/zenodo.6343960
 Download-URL: https://doi.org/10.5281/zenodo.6343960

{vasprocar-1.1.19.128 → vasprocar-1.1.19.129}/setup.py

@@ -6,7 +6,7 @@ from typing import Optional
 
 setup(
     name = "vasprocar",
-    version = "1.1.19.128",
+    version = "1.1.19.129",
     entry_points={'console_scripts': ['vasprocar = vasprocar:main']},
     description = "VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.",
     author = "Augusto de Lelis Araujo and Renan da Paixao Maciel", 

{vasprocar-1.1.19.128 → vasprocar-1.1.19.129}/vasprocar/__main__.py

@@ -14,7 +14,7 @@ dir_vasprocar = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_vasprocar}')
 #------------------------
 
-version = '1.1.19.128'
+version = '1.1.19.129'
 VASProcar_name = 'VASProcar version ' + version
 
 url_1 = 'https://pypi.org/project/vasprocar'
@@ -138,14 +138,15 @@ if (len(inputs) > 0):
        #---------------------------------------------------------------------------
        exec(open(dir_files + '/inputs/' + 'input.vasprocar.' + inputs[inp]).read())
        #---------------------------------------------------------------------------
-       if (inputs[inp] == 'bands'):      opcao = -10
-       if (inputs[inp] == 'spin'):       opcao = -20
-       if (inputs[inp] == 'orbitals'):   opcao = -30
-       if (inputs[inp] == 'dos'):        opcao = -31
-       if (inputs[inp] == 'location'):   opcao = -32
-       if (inputs[inp] == 'locpot'):     opcao = -40
-       if (inputs[inp] == 'chgcar'):     opcao = -41
-       if (inputs[inp] == 'spin_video'): opcao = -23
-       #--------------------------------------------------------------------
+       if (inputs[inp] == 'bands'):         opcao = -10
+       if (inputs[inp] == 'spin'):          opcao = -20
+       if (inputs[inp] == 'orbitals'):      opcao = -30
+       if (inputs[inp] == 'dos'):           opcao = -31
+       if (inputs[inp] == 'location'):      opcao = -32
+       if (inputs[inp] == 'locpot'):        opcao = -40
+       if (inputs[inp] == 'chgcar'):        opcao = -41
+       if (inputs[inp] == 'spin_video'):    opcao = -23
+       if (inputs[inp] == 'fermi_surface'): opcao = -11
+       #-----------------------------------------------
        run = main_dir + '_settings.py'
        exec(open(run).read())

{vasprocar-1.1.19.128 → vasprocar-1.1.19.129}/vasprocar/src/fermi_surface.py

@@ -58,7 +58,7 @@ print ("#################### Fermi's surface plot ####################")
 print ("##############################################################")
 print (" ")
 
-if (escolha == -1):
+if (escolha == -1 and len(inputs) == 0):
   
    print ("##############################################################")
    print ("Regarding the bands, what do you want to analyze? ============")
@@ -98,25 +98,26 @@ if (escolha == -1):
    esc_fermi = input (" "); esc_fermi = int(esc_fermi)
    print (" ") 
 
-print ("##############################################################")
-print ("What number of Energies do you want to analyze? ==============")
-print ("##############################################################")
-n_energ = input (" "); n_energ = int(n_energ)
-print(" ")
+if (len(inputs) == 0):
+   print ("##############################################################")
+   print ("What number of Energies do you want to analyze? ==============")
+   print ("##############################################################")
+   n_energ = input (" "); n_energ = int(n_energ)
+   print(" ")
 
-if (n_energ <= 0):
-   n_energ = 1
+if (n_energ <= 0): n_energ = 1
 
-print ("##############################################################")
-print ("Regarding the energy values: =================================")
-print ("[0] Must be obtained automatically by code ===================")
-print ("[1] Must sweep a certain range of energy =====================")
-print ("[2] I want to specify each energy value manually =============")   
-print ("##############################################################")
-esc_energ = input (" "); esc_energ = int(esc_energ)
-print(" ")
+if (len(inputs) == 0):
+   print ("##############################################################")
+   print ("Regarding the energy values: =================================")
+   print ("[0] Must be obtained automatically by code ===================")
+   print ("[1] Must sweep a certain range of energy =====================")
+   print ("[2] I want to specify each energy value manually =============")   
+   print ("##############################################################")
+   esc_energ = input (" "); esc_energ = int(esc_energ)
+   print(" ")
 
-if (esc_energ == 1):
+if (esc_energ == 1 and len(inputs) == 0):
    print ("##############################################################")
    print ("Choose the Energy range to be analyzed: ===================== ")
    print ("Type as in the examples below =============================== ")
@@ -130,7 +131,7 @@ if (esc_energ == 1):
    energ_f = float(energ_f)
    print (" ")
 
-if (esc_energ == 2):
+if (esc_energ == 2 and len(inputs) == 0):
    #----------------
    E = [0.0]*n_energ
    #----------------
@@ -151,8 +152,8 @@ if (esc_energ == 2):
 
 #-----------------------------------------------------------------------------
 
-if (soma_1 == 2 or soma_2 == 2):
-   #----------------------------------   
+if ((soma_1 == 2 or soma_2 == 2) and len(inputs) == 0):
+   #---------------------------------------------------   
    if (soma_2 == 2 and escolha == -1):
       print ("##############################################################")
       print (" Would you like to choose k-axis units?                       ")
@@ -190,36 +191,37 @@ if (soma_1 == 2 or soma_2 == 2):
 
 #-----------------------------------------------------------------------------   
 
-print ("##############################################################")
-print ("Do you want to compile a video from the generated pictures? ==")
-print ("[0] NO =======================================================")
-print ("[1] YES ======================================================")
-print ("==============================================================")
-print ("Note: Images will not be generated in .pdf|.svg|.eps =========")
-print ("##############################################################")
-video = input (" "); video = int(video)
-print (" ")
-
-if (video == 1):
-   #-----------------------------------------------------------------------
+if (len(inputs) == 0):
    print ("##############################################################")
-   print ("How many figures should appear per second (fps) in the video? ")
-   print ("tip 1: =======================================================")
-   print ("Choose between 1 and 30 figures ==============================")
-   print ("tip 2: =======================================================")
-   print ("The greater the number of images and the greater the number of")
-   print ("images per second (fps), the smoother the video.              ")
+   print ("Do you want to compile a video from the generated pictures? ==")
+   print ("[0] NO =======================================================")
+   print ("[1] YES ======================================================")
+   print ("==============================================================")
+   print ("Note: Images will not be generated in .pdf|.svg|.eps =========")
    print ("##############################################################")
-   n_fig = input (" "); n_fig = int(n_fig)  
+   video = input (" "); video = int(video)
    print (" ")
-   #-------------------------
-   if (n_fig <= 0): n_fig = 1
-   #-------------------------
-   save_png = 1
-   save_pdf = 0
-   save_eps = 0
-
-if (escolha == -1):
+
+   if (video == 1):
+      #-----------------------------------------------------------------------
+      print ("##############################################################")
+      print ("How many figures should appear per second (fps) in the video? ")
+      print ("tip 1: =======================================================")
+      print ("Choose between 1 and 30 figures ==============================")
+      print ("tip 2: =======================================================")
+      print ("The greater the number of images and the greater the number of")
+      print ("images per second (fps), the smoother the video.              ")
+      print ("##############################################################")
+      n_fig = input (" "); n_fig = int(n_fig)  
+      print (" ")
+      #-------------------------
+      if (n_fig <= 0): n_fig = 1
+      #-------------------------
+      save_png = 1
+      save_pdf = 0
+      save_eps = 0
+
+if (escolha == -1 and len(inputs) == 0):
    print ("##############################################################")
    print ("Choose the K-mesh grid (DxD) to be interpolated: =============")
    print ("Note:  The k-mesh grid used in your VASP calculation can be   ")

vasprocar-1.1.19.129/vasprocar/src/inputs/input.vasprocar.fermi_surface

@@ -0,0 +1,131 @@
+# VASProcar Copyright (C) 2023
+# GNU GPL-3.0 license
+
+################################################################
+# inform the DFT package: ======================================
+# [0] VASP - Vienna Ab initio Simulation Package ===============
+# [1] QE - Quantum Espresso ====================================
+################################################################
+dft_package = 0
+
+if (dft_package == 0): DFT = '_VASP/'
+if (dft_package == 1): DFT = '_QE/'
+
+
+
+################################################################
+# Regarding the bands, what do you want to analyze? ============
+# [0] Plot all bands on the Fermi Surface ======================
+# [1] Plot a selected range of bands on Sup. from Fermi ========
+################################################################
+esc_band = 0
+
+if (esc_band == 1):
+   ##############################################################
+   # Which band do you want to analyze? =========================
+   ############################################################## 
+   Band_i = 1
+   Band_f = 2
+
+
+
+############################################################## 
+# with respect to energy, would you like? ====================
+# [0] Use the default energy value from DFT output ===========
+# [1] Shift the Fermi level to 0.0 eV  =======================
+##############################################################
+esc_fermi = 1
+
+ 
+
+################################################################
+# What number of Energies do you want to analyze? ==============
+################################################################
+n_energ = 120
+
+
+
+##############################################################
+# Regarding the energy values: ===============================
+# [0] Must be obtained automatically by code =================
+# [1] Must sweep a certain range of energy ===================
+# [2] I want to specify each energy value manually ===========
+##############################################################
+esc_energ = 1
+
+if (esc_energ == 1):
+   ##############################################################
+   # Choose the Energy range to be analyzed: ====================
+   # Type as in the examples below ==============================
+   # ------------------------------------------------------------
+   # Initial_energ Final_Energ: -4.5 6.9                         
+   # Initial_energ Final_Energ:  0.0 5.5                         
+   ##############################################################
+   energ_i = -2.0
+   energ_f = +2.0
+
+if (esc_energ == 2):
+   #----------------
+   E = [0.0]*n_energ
+   ##############################################################
+   # Enter Energy values as in the examples below ===============
+   # ------------------------------------------------------------
+   # Energies: -4.5 -2.0 -1.0  0.0  1.0  3.0 5.0                 
+   # Energies:  0.2  0.5  0.78 1.23 9.97                         
+   # ------------------------------------------------------------
+   # !!! important note !!! =====================================
+   # Always enter energy values in ascending order ==============
+   ############################################################## 
+   E = '-1.0 -0.5 0.0 0.5 1.0'
+   #--------------------------
+   E = E.split()
+   for i in range(n_energ): E[i] = float(E[i])
+
+
+
+################################################################
+# Would you like to choose k-axis units?                        
+# [1] (kx,ky,kz) 2pi/Param. (Param. in Angs.) ==================
+# [2] (kx,ky,kz) 1/Angs. =======================================
+# [3] (kx,ky,kz) 1/nm.   =======================================   
+# [4] (k1,k2,k3) Fractional coord: K = k1*B1 + k2*B2 + k3*B3 ===   
+################################################################ 
+Dimensao = 4
+
+
+
+################################################################
+# Do you want to compile a video from the generated pictures? ==
+# [0] NO =======================================================
+# [1] YES ======================================================
+# ==============================================================
+# Note: Images will not be generated in .pdf|.svg|.eps =========
+################################################################
+video = 0
+
+if (video == 1):
+   ################################################################
+   # How many figures should appear per second (fps) in the video?
+   # tip 1: =======================================================
+   # Choose between 1 and 30 figures ==============================
+   # tip 2: =======================================================
+   # The greater the number of images and the greater the number of
+   # images per second (fps), the smoother the video.              
+   ################################################################
+   n_fig = 20
+   #-----------
+   save_png = 1
+   save_pdf = 0
+   save_eps = 0
+   save_svg = 0 
+
+
+
+###############################################################
+# Choose the K-mesh grid (DxD) to be interpolated: ============
+# Note:  The k-mesh grid used in your DFT calculation can be   
+#        used as a reference. You are free to increase/decrease
+#        the numberof kpoints to be interpolated.              
+# Hint:  use 101 (unless more precision is required).          
+###############################################################
+n_d = 101

{vasprocar-1.1.19.128 → vasprocar-1.1.19.129}/vasprocar/src/inputs/inputs.py

@@ -1,7 +1,7 @@
 # VASProcar Copyright (C) 2023
 # GNU GPL-3.0 license
 
-inputs_types = ['dos','locpot','chgcar','spin','orbitals','location','bands', 'spin_video']
+inputs_types = ['dos','locpot','chgcar','spin','orbitals','location','bands', 'spin_video', 'fermi_surface']
 inputs = []
 
 # ------------------------------------------------------------------------------

{vasprocar-1.1.19.128 → vasprocar-1.1.19.129}/vasprocar/src/inputs/inputs_files.py

@@ -27,6 +27,7 @@ print("# [5] DOS                                            ##")
 print("# [6] Electrostatic Potential in X,Y,Z direction     ##")
 print("# [7] CHGCAR file analysis                           ##")
 print("# [8] Spin Texture - Contour Video                   ##")
+print("# [9] Spin Texture - Video                           ##")
 print("#######################################################")
 tipo = input (" "); tipo = int(tipo)
 print(" ")
@@ -99,6 +100,13 @@ if (tipo == 8 or tipo == 0):
    destination = dir_files + '/inputs/input.vasprocar.spin_video'
    shutil.copyfile(source, destination)
 
+if (tipo == 9 or tipo == 0):
+   try: f = open(dir_files + '/inputs/input.vasprocar.fermi_surface'); f.close(); os.remove(dir_files + '/inputs/input.vasprocar.fermi_surface')
+   except: 0 == 0
+   #---------------------------------------------------------
+   source = main_dir + 'inputs/input.vasprocar.fermi_surface'
+   destination = dir_files + '/inputs/input.vasprocar.fermi_surface'
+   shutil.copyfile(source, destination)
 
 #-----------------------------------------------------------------
 print(" ")

{vasprocar-1.1.19.128 → vasprocar-1.1.19.129}/vasprocar/src/spin_texture_contour_video.py

@@ -53,37 +53,6 @@ if (soma_1 != 2 and soma_2 != 2):
 # Getting the input parameters ========================================
 #======================================================================
 
-if (escolha == -1):
-
-   if (len(inputs) == 0):
-      print ("##############################################################")
-      print ("Regarding the Spin Texture Fermi contours, do you want to     ")
-      print ("choose a range of bands? ====================================")
-      print ("[0] All bands ================================================")
-      print ("[1] Selected bands ===========================================")
-      print ("##############################################################")
-      esc_bands = input (" "); esc_bands = int(esc_bands)
-      print(" ")
-
-   if (esc_bands == 0):
-      band_i = 1
-      band_f = nb
-
-   if (esc_bands == 1):
-      if (len(inputs) == 0): 
-         print ("##############################################################")
-         print ("Choose the bands to be projected onto the Fermi contours,     ")
-         print ("using using a [single] range of bands. =======================")
-         print ("Type as in the examples below ================================")
-         print ("--------------------------------------------------------------")
-         print ("band_i band_f:  35 42                                         ")          
-         print ("band_i band_f:  1 15                                          ")
-         print ("band_i band_f:  7 7                                           ")
-         print ("##############################################################")
-         band_i, band_f = input ("band_i band_f: ").replace(':', ' ').replace('-', ' ').replace('*', ' ').split()
-         band_i = int(band_i); band_f = int(band_f)
-         print (" ")
-
 if (len(inputs) == 0):
 
    print ("##############################################################")
@@ -95,6 +64,12 @@ if (len(inputs) == 0):
    tipo_spin = input (" "); tipo_spin = int(tipo_spin)
    print (" ")
 
+   print ("##############################################################")
+   print ("Which band do you want to analyze? ===========================")
+   print ("##############################################################") 
+   n_band = input (" "); n_band = int(n_band)
+   print (" ")
+
 if (escolha == -1 and len(inputs) == 0):
    print ("#######################################################################")  
    print ("Do you want to select over which orbitals the spin components =========")
@@ -296,14 +271,15 @@ if ((soma_1 == 2 or soma_2 == 2) and len(inputs) == 0):
    #----------------------------------   
    if (soma_1 == 2 and soma_2 == 2 and escolha == 1):
       Dimensao = 4
-
-if (soma_1 == 2 or soma_2 == 2):
-   #----------------------------------  
+   #----------------------------------   
+    
+if ((soma_1 == 2 or soma_2 == 2) and len(inputs) != 0):
+   #-----------------
    if (Dimensao < 4):
       if (dk[3] == 1 and dk[4] == 1): Plano_k = 1  #  kxky-plan
       if (dk[3] == 1 and dk[5] == 1): Plano_k = 2  #  kxkz-plan
       if (dk[4] == 1 and dk[5] == 1): Plano_k = 3  #  kykz-plan
-   #----------------------------------   
+   #-----------------
    if (Dimensao == 4):
       if (dk[0] == 1 and dk[1] == 1): Plano_k = 1  #  k1k2-plan
       if (dk[0] == 1 and dk[2] == 1): Plano_k = 2  #  k1k3-plan
@@ -375,8 +351,6 @@ if (escolha == -1 and len(inputs) == 0):
    print(" ")
 
 if (escolha == 1):
-   band_i = 1
-   band_f = nb
    esc_fermi = 1
    esc_ions = 0
    Orb_spin = [1]*16
@@ -392,7 +366,7 @@ if (Efermi == -1000.0):
 
 if (esc_fermi == 0): dE_fermi = 0.0
 if (esc_fermi == 1): dE_fermi = (Efermi)*(-1)
-#--------------------------------------------
+#--------------------------------------------  
 
 bands_range = '1:' + str(nb)
 
@@ -409,6 +383,8 @@ execute_python_file(filename = DFT + '_nscf.py')
 bandas = np.loadtxt(dir_files + '/output/Bandas.dat') 
 bandas.shape
 
+energia = bandas[:,n_band]
+
 #----------------------------------------------------------------------------
 inform = open(dir_files + '/output/informacoes.txt', "r")
 spin = open(dir_files + '/output/Spin.dat', "r")
@@ -423,39 +399,23 @@ for line in inform:
 
 VTemp = inform.readline()
 VTemp = inform.readline()
- 
+       
 for i in range (n_procar*nk):
     VTemp = inform.readline().split()
     k1 = float(VTemp[1]); k2 = float(VTemp[2]); k3 = float(VTemp[3])
     kx = float(VTemp[4]); ky = float(VTemp[5]); kz = float(VTemp[6])
 
-    if (Dimensao != 4):
-       spin_texture .write(f'{kx} {ky} {kz} ')      
-    if (Dimensao == 4):
-       spin_texture .write(f'{k1} {k2} {k3} ')
-
-    # for j in range (1,(nb+1)):
-    #     VTemp = spin.readline().split()
-    #     if (j >= band_i and j <= band_f):
-    #        #--------------------
-    #        energia = bandas[:,j]
-    #        #--------------------
-    #        Sx = float(VTemp[2]) + float(VTemp[3])
-    #        Sy = float(VTemp[4]) + float(VTemp[5])
-    #        Sz = float(VTemp[6]) + float(VTemp[7])
-    #        spin_texture.write(f'{energia[i]} {Sx} {Sy} {Sz} ')
-    # spin_texture.write(f' \n')
-
     for j in range (1,(nb+1)):
         VTemp = spin.readline().split()
-        #--------------------
-        energia = bandas[:,j]
-        #--------------------
-        Sx = float(VTemp[2]) + float(VTemp[3])
-        Sy = float(VTemp[4]) + float(VTemp[5])
-        Sz = float(VTemp[6]) + float(VTemp[7])
-        spin_texture.write(f'{energia[i]} {Sx} {Sy} {Sz} ')
-    spin_texture.write(f' \n')   
+        if (j == n_band):
+           Sx = float(VTemp[2]) + float(VTemp[3])
+           Sy = float(VTemp[4]) + float(VTemp[5])
+           Sz = float(VTemp[6]) + float(VTemp[7])
+
+    if (Dimensao != 4):
+       spin_texture .write(f'{kx} {ky} {kz} {energia[i]} {Sx} {Sy} {Sz} \n')      
+    if (Dimensao == 4):
+       spin_texture .write(f'{k1} {k2} {k3} {energia[i]} {Sx} {Sy} {Sz} \n')
 
 #-------------------
 inform.close()
@@ -514,12 +474,8 @@ linha += 1; lines.insert(linha, '#==============================================
 linha += 1; lines.insert(linha, '# These are the parameters that allows the code to run separatedly === \n')
 linha += 1; lines.insert(linha, '#===================================================================== \n')
 linha += 1; lines.insert(linha, '\n')
-linha += 1; lines.insert(linha, f'n_procar = {n_procar}  #  Total Num. of PROCAR files \n')
-linha += 1; lines.insert(linha, f'nk = {nk}              #  Total Num. of k-points \n')
-linha += 1; lines.insert(linha, f'nb = {nb}              #  Total Num. of bands \n')
-linha += 1; lines.insert(linha, f'band_i = {band_i}      # Initial band to be projected onto the Fermi contour \n')
-linha += 1; lines.insert(linha, f'band_f = {band_f}      # Final band to be projected onto the Fermi contour \n')
-linha += 1; lines.insert(linha, f'allowed_bands = "all"  # Allowed "all", "even" or "odd" bands \n')
+linha += 1; lines.insert(linha, f'nk = {nk}        #  Total Num. of k-points \n')
+linha += 1; lines.insert(linha, f'Banda = {n_band}  #  Band being analyzed \n')
 linha += 1; lines.insert(linha, f'fator = {fator}  #  Factor by which the length of the spin vectors will be increased or decreased \n')
 linha += 1; lines.insert(linha, f'pulo = {pulo}    #  Number of spin vectors to be ignored interleaved along the path of the band contour \n')
 linha += 1; lines.insert(linha, f'n_d = {n_d}      #  Interpolation grid (DxD) \n') 
@@ -529,13 +485,12 @@ linha += 1; lines.insert(linha, f'transp = {transp}      #  Transparency applied
 linha += 1; lines.insert(linha, f'tipo_spin = {tipo_spin}        #  Component or Spin Vector to be analyzed, where: [1] Sx; [2] Sy; [3] Sz; [4] SxSy; [5] SxSz; [6] SySz \n')
 linha += 1; lines.insert(linha, f'tipo_contour = {tipo_contour}  #  How to obtain the energies of the Level Curves: Where [0] is automatic; [1] energy range and [2] entered manually \n')
 linha += 1; lines.insert(linha, f'n_contour = {n_contour}        #  Number of Level Contours to be obtained \n')
+linha += 1; lines.insert(linha, f'bands_range = "{bands_range}" \n')
 linha += 1; lines.insert(linha, f'Efermi = {Efermi}        #  Fermi energy from DFT outpout files \n')
 linha += 1; lines.insert(linha, f'esc_fermi = {esc_fermi}  #  Would you like to shift the Fermi level? [0] No, use the value obtained from VASP [1] Yes, shift the Fermi level to 0.0 eV \n')
-#----------------------
+#--------------------------------
 if (tipo_contour == 1):
    linha += 1; lines.insert(linha, f'energ_i = {energ_i}; energ_f = {energ_f}  #  Starting and ending energy of the Energy Range in the Level Contours plot \n')
-if (tipo_contour != 1):
-   linha += 1; lines.insert(linha, f'# energ_i = -1.0; energ_f = +1.0      #  Starting and ending energy of the Energy Range in the Level Contours plot \n')
 if (tipo_contour == 2):
    linha += 1; lines.insert(linha, f'levels_n = {levels_n}  #  Energy values specified manually in the plot of Level Contours \n')
 if (tipo_contour < 2):

{vasprocar-1.1.19.128 → vasprocar-1.1.19.129/vasprocar.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.128
+Version: 1.1.19.129
 Summary: VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.
 Home-page: https://doi.org/10.5281/zenodo.6343960
 Download-URL: https://doi.org/10.5281/zenodo.6343960

{vasprocar-1.1.19.128 → vasprocar-1.1.19.129}/vasprocar.egg-info/SOURCES.txt

@@ -69,6 +69,7 @@ vasprocar/src/etc/Greek_alphabet.jpg
 vasprocar/src/inputs/input.vasprocar.bands
 vasprocar/src/inputs/input.vasprocar.chgcar
 vasprocar/src/inputs/input.vasprocar.dos
+vasprocar/src/inputs/input.vasprocar.fermi_surface
 vasprocar/src/inputs/input.vasprocar.location
 vasprocar/src/inputs/input.vasprocar.locpot
 vasprocar/src/inputs/input.vasprocar.orbitals