TB2J 0.8.2.4__py3-none-any.whl → 0.8.2.5__py3-none-any.whl

TB2J/__init__.py

@@ -1 +1 @@
-__version__ = "0.8.2.4"
+__version__ = "0.8.2.5"

TB2J/exchange.py

@@ -144,6 +144,7 @@ class Exchange(ExchangeParams):
 
     def _adjust_emin(self):
         self.emin = self.G.find_energy_ingap(rbound=self.efermi - 5.0) - self.efermi
+        print(f"A gap is found at {self.emin}, set emin to it.")
 
     def set_tbmodels(self, tbmodels):
         pass

{TB2J-0.8.2.4.dist-info → TB2J-0.8.2.5.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: TB2J
-Version: 0.8.2.4
+Version: 0.8.2.5
 Summary: TB2J: First principle to Heisenberg exchange J using tight-binding Green function method
 Home-page: UNKNOWN
 Author: Xu He

{TB2J-0.8.2.4.dist-info → TB2J-0.8.2.5.dist-info}/RECORD

@@ -2,14 +2,14 @@ TB2J/Jdownfolder.py,sha256=Nw2ixvn2Uq-o1wficz6rdaYHjfRN3U_kQCvrNJGNb68,6980
 TB2J/Jtensor.py,sha256=0fhfOcfVQGu75gytEnApKWTJZfg9ksKJ0anJgco5wRQ,3179
 TB2J/Oiju.py,sha256=yQMfxQGnOSLbuTS22upkEFsJ9UAZk7wFaWynvg1NVdA,3595
 TB2J/Oiju_epc.py,sha256=sqjLIuWWT-d0uH2O7-6mobsUYQjHP5GyGlmdYqvkXFk,7332
-TB2J/__init__.py,sha256=m465wDULhkXiTAOlCtUHRpsYNAwwcrwD6KQMBsD8uY4,24
+TB2J/__init__.py,sha256=0JyzwzYqH09rIndCHr8uL-Jd2dG9GDEMaojcYFCc0kM,24
 TB2J/basis.py,sha256=DFo6_QUwjBwisP6zGxvoO0lpGTMDPAOkiL9giNCjOjA,1558
 TB2J/citation.py,sha256=gcQeyJZaT1Qrtsl8Y3s4neOH3-vvgmIcCvXeV2o3vj0,2891
 TB2J/contour.py,sha256=aw8LX6wVFCRPhcpkzuI0jGnHisvk4cezvUhkF_6Yx94,2633
 TB2J/cut_cell.py,sha256=kr9WeQhBQLm8QXL2B3NcsSYmSw-OAtJk3f9wksAOZbs,2952
 TB2J/density_matrix.py,sha256=D5k8Oe21OCiLVORNYbo4TZOFG0slrQSbj91kJ3TMFjs,1514
 TB2J/epc.py,sha256=zLbtqZJhDr8DnnGN6YENcXwrMb3Qxu6KB08mLy9Pw20,3474
-TB2J/exchange.py,sha256=qo-WecM2Q_WbZ0eQ1Tm8tr1NHQNTN3s0WV_jpwK_lO4,30315
+TB2J/exchange.py,sha256=jtgjtHfNxTUOXFdUn5gjwOq0KZSj7nPK5OpV9Trcb2w,30380
 TB2J/exchangeCL2.py,sha256=mODZU5KKWb2q5KzZAXoAt90vNjjFeLc8L_LySicWV3w,11350
 TB2J/exchange_pert.py,sha256=52XWeVW7JZ_JRUXEfqRfgia8NE_K1R9a0IrJZoLh8gY,8521
 TB2J/exchange_qspace.py,sha256=ZL68qBGFUaQ9BsSPsJaaoWOr9RssPiqX34R_9I3nk_8,8436
@@ -63,17 +63,17 @@ TB2J/spinham/supercell.py,sha256=y17uUC6r3gQb278FhxIW4CABihfLTvKFj6flyXrCPR8,122
 TB2J/wannier/__init__.py,sha256=7ojCbM84PYv1X1Tbo4NHI-d3gWmQsZB_xiYqbfxVV1E,80
 TB2J/wannier/w90_parser.py,sha256=dbd63LuKyv2DVUzqRINGsbDzEsOxsQyE8_Ear_LQIRg,4620
 TB2J/wannier/w90_tb_parser.py,sha256=qt8pnuprmPp9iIAYwPkPbmEzk6ZPgMq2xognoQp7vwc,4610
-TB2J-0.8.2.4.data/scripts/TB2J_downfold.py,sha256=F9oImXFysejCMP7eIBjbCX2jdHFOCvDW5beF1sG-UM8,1854
-TB2J-0.8.2.4.data/scripts/TB2J_eigen.py,sha256=Qs9v2hnMm2Tpfoa4h53muUKty2dZjwx8948MBoQooNg,1128
-TB2J-0.8.2.4.data/scripts/TB2J_magnon.py,sha256=q7UwAmorRcFNk4tfE7gl_ny05l6p7pbD9Wm_LkIpKEw,3101
-TB2J-0.8.2.4.data/scripts/TB2J_magnon_dos.py,sha256=TMXQvD2dIbO5FZ4tUMmxJgCgH2O2hDAPUNfEKO4z-x4,110
-TB2J-0.8.2.4.data/scripts/TB2J_merge.py,sha256=uZKLM__EyCHwxrQvx3Wd73dOEADp_SqfYC8KQvA-N9g,1622
-TB2J-0.8.2.4.data/scripts/TB2J_rotate.py,sha256=XPacPb7-DaFafBXFdWuNW_eNbjd5XPdNhBRNYhge_cg,634
-TB2J-0.8.2.4.data/scripts/abacus2J.py,sha256=M4B07lvTCDczTPTqvnDh_PERzCARAd09TLKv4aIdSQM,4408
-TB2J-0.8.2.4.data/scripts/siesta2J.py,sha256=Q_kvdgE34JJKVUMgBCSe07kARge0XULJ9B6z8hQFu6M,4706
-TB2J-0.8.2.4.data/scripts/wann2J.py,sha256=0g8Y5RbsYgV7iuoRQEeOnpaBy3oNpRfiw1dy6lWD13E,6520
-TB2J-0.8.2.4.dist-info/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
-TB2J-0.8.2.4.dist-info/METADATA,sha256=a6ajzd11aBwUKoAF3NzJN74ejMVOrNMIU2jt36HAmz0,1464
-TB2J-0.8.2.4.dist-info/WHEEL,sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA,92
-TB2J-0.8.2.4.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
-TB2J-0.8.2.4.dist-info/RECORD,,
+TB2J-0.8.2.5.data/scripts/TB2J_downfold.py,sha256=F9oImXFysejCMP7eIBjbCX2jdHFOCvDW5beF1sG-UM8,1854
+TB2J-0.8.2.5.data/scripts/TB2J_eigen.py,sha256=Qs9v2hnMm2Tpfoa4h53muUKty2dZjwx8948MBoQooNg,1128
+TB2J-0.8.2.5.data/scripts/TB2J_magnon.py,sha256=q7UwAmorRcFNk4tfE7gl_ny05l6p7pbD9Wm_LkIpKEw,3101
+TB2J-0.8.2.5.data/scripts/TB2J_magnon_dos.py,sha256=TMXQvD2dIbO5FZ4tUMmxJgCgH2O2hDAPUNfEKO4z-x4,110
+TB2J-0.8.2.5.data/scripts/TB2J_merge.py,sha256=uZKLM__EyCHwxrQvx3Wd73dOEADp_SqfYC8KQvA-N9g,1622
+TB2J-0.8.2.5.data/scripts/TB2J_rotate.py,sha256=XPacPb7-DaFafBXFdWuNW_eNbjd5XPdNhBRNYhge_cg,634
+TB2J-0.8.2.5.data/scripts/abacus2J.py,sha256=M4B07lvTCDczTPTqvnDh_PERzCARAd09TLKv4aIdSQM,4408
+TB2J-0.8.2.5.data/scripts/siesta2J.py,sha256=Q_kvdgE34JJKVUMgBCSe07kARge0XULJ9B6z8hQFu6M,4706
+TB2J-0.8.2.5.data/scripts/wann2J.py,sha256=0g8Y5RbsYgV7iuoRQEeOnpaBy3oNpRfiw1dy6lWD13E,6520
+TB2J-0.8.2.5.dist-info/LICENSE,sha256=CbZI-jyRTjiqIcWa244cRSHJdjjtUNqGR4HeJkgEwJw,1332
+TB2J-0.8.2.5.dist-info/METADATA,sha256=TzvynzouHOxcwMZApLg3DQSXVHbg1m2UqNoehB6FP1Y,1464
+TB2J-0.8.2.5.dist-info/WHEEL,sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA,92
+TB2J-0.8.2.5.dist-info/top_level.txt,sha256=whYa5ByLYhl5XnTPBHSWr-IGD6VWmr5Ql2bye2qwV_s,5
+TB2J-0.8.2.5.dist-info/RECORD,,