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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| BondingEnergy-NoRela..> | 2025-08-06 12:36 | 3.3K | |
| BondingEnergy-NoRela..> | 2023-10-24 13:47 | 7.3K | |
| BondingEnergy.md | 2025-08-06 12:37 | 2.7K | |
| BondingEnergy.pl | 2023-10-24 13:47 | 6.6K | |
| BondingEnergyFromAll..> | 2025-08-06 12:37 | 2.4K | |
| BondingEnergyFromAll..> | 2023-10-24 13:47 | 6.9K | |
| CalElasticConstant/ | 2023-10-24 13:47 | - | |
| CalMaxJsc-V1.md | 2025-08-06 12:37 | 2.7K | |
| CalMaxJsc-V1.pl | 2023-10-24 13:47 | 21K | |
| CalMaxJsc.md | 2025-08-06 12:38 | 2.4K | |
| CalMaxJsc.pl | 2023-10-24 13:47 | 24K | |
| ChangeLatticeParamet..> | 2023-10-24 13:47 | 512 | |
| CheckConvergence.bat | 2023-10-24 13:47 | 704 | |
| CheckConvergence.md | 2025-08-06 12:38 | 2.2K | |
| CheckConvergence.pl | 2023-10-24 13:47 | 2.3K | |
| CheckUnitcellVariati..> | 2025-08-06 12:54 | 2.1K | |
| CheckUnitcellVariati..> | 2023-10-23 17:08 | 204 | |
| ConvAB.md | 2025-08-06 12:38 | 2.2K | |
| ConvAB.pl | 2023-10-24 13:47 | 2.3K | |
| ConvCONTCAR.bat | 2023-10-24 13:47 | 58 | |
| ConvMetal.md | 2025-08-06 12:39 | 2.3K | |
| ConvMetal.pl | 2023-10-24 13:47 | 2.4K | |
| Convergence.md | 2025-08-06 12:38 | 2.4K | |
| Convergence.pl | 2023-10-23 17:08 | 28K | |
| ConvertLatticeForDen..> | 2025-08-06 12:38 | 1.9K | |
| ConvertLatticeForDen..> | 2023-10-24 13:47 | 16K | |
| ConvertLatticeForDen..> | 2025-08-06 12:38 | 2.2K | |
| ConvertLatticeForDen..> | 2023-10-24 13:47 | 13K | |
| ConvertLatticeForDen..> | 2025-08-06 12:39 | 2.2K | |
| ConvertLatticeForDen..> | 2023-10-24 13:47 | 6.6K | |
| CreateMoleculeCIF.md | 2025-08-06 12:39 | 2.7K | |
| CreateMoleculeCIF.pl | 2023-10-24 13:47 | 13K | |
| DoSCFDOS.shfunc | 2023-10-23 17:08 | 1.7K | |
| DoVASP.md | 2025-08-06 12:54 | 2.8K | |
| DoVASP.sh | 2022-03-25 14:19 | 65K | |
| EffectiveMassFromBan..> | 2025-08-06 12:39 | 2.7K | |
| EffectiveMassFromBan..> | 2023-10-23 17:08 | 11K | |
| EffectiveMassFromDOS.md | 2025-08-06 12:39 | 2.5K | |
| EffectiveMassFromDOS.pl | 2023-10-23 17:08 | 3.1K | |
| Electron_Helmholtz_e..> | 2025-08-06 12:40 | 2.4K | |
| Electron_Helmholtz_e..> | 2023-10-23 17:08 | 6.6K | |
| ExtractCN.md | 2025-08-06 12:40 | 2.6K | |
| ExtractCN.pl | 2023-10-24 13:47 | 3.0K | |
| ExtractHybridFunctio..> | 2025-08-06 12:40 | 2.5K | |
| ExtractHybridFunctio..> | 2023-10-24 13:47 | 2.0K | |
| FermiSurface/ | 2023-10-23 17:08 | - | |
| FreeEnergy/ | 2023-10-24 13:47 | - | |
| Go.md | 2025-08-06 12:54 | 2.3K | |
| Go.sh | 2008-02-19 03:42 | 870 | |
| He/ | 2024-01-17 10:59 | - | |
| JDOS.md | 2025-08-06 12:41 | 2.1K | |
| JDOS.pl | 2023-10-24 13:47 | 894 | |
| MakeCIF.bat | 2023-10-24 13:47 | 177 | |
| MakeCIFFile.md | 2025-08-06 12:55 | 1.8K | |
| MakeCIFFile.sh | 2023-10-23 17:08 | 198 | |
| MakeDOSCSVfromPRODOS..> | 2025-08-06 12:41 | 2.2K | |
| MakeDOSCSVfromPRODOS..> | 2023-10-24 13:47 | 6.8K | |
| MakeDOSMap.md | 2025-08-06 12:42 | 2.6K | |
| MakeDOSMap.pl | 2023-10-24 13:47 | 2.7K | |
| MakeDisplacementVEST..> | 2023-10-24 13:47 | 361 | |
| MakeDisplacementVEST..> | 2025-08-06 12:41 | 2.4K | |
| MakeDisplacementVEST..> | 2023-10-24 13:47 | 6.0K | |
| MakeInputFromCIF.bat | 2023-10-24 13:47 | 666 | |
| MakeKPOINTSForBand.bat | 2023-10-24 13:47 | 302 | |
| MakeLDOSCSV.md | 2025-08-06 12:42 | 2.5K | |
| MakeLDOSCSV.pl | 2023-10-24 13:47 | 3.6K | |
| MakeOpticsCSV.md | 2025-08-06 12:42 | 1.8K | |
| MakeOpticsCSV.pl | 2023-10-24 13:47 | 2.2K | |
| MakeOpticsCSV.pl.md | 2025-08-06 12:42 | 2.0K | |
| MakeOpticsCSV.pl.pl | 2023-10-24 13:47 | 1.9K | |
| MakePhononXSFFile.bat | 2023-10-24 13:47 | 79 | |
| MakeRelaxXSFFile.bat | 2023-10-24 13:47 | 82 | |
| MakeStructureModel.bat | 2023-10-23 17:08 | 93 | |
| MakeStructureModel.md | 2025-08-06 12:42 | 2.3K | |
| MakeStructureModel.pl | 2023-10-23 17:08 | 20K | |
| MakeVASPFile.md | 2025-08-06 12:55 | 2.2K | |
| MakeVASPFile.sh | 2023-10-23 17:08 | 506 | |
| MakeVESTAFile.bat | 2023-10-24 13:47 | 140 | |
| MakeXSFFile.bat | 2023-10-24 13:47 | 136 | |
| MakeXSFFile.md | 2025-08-06 12:55 | 2.0K | |
| MakeXSFFile.sh | 2023-10-23 17:08 | 273 | |
| Makefile | 2005-12-07 12:48 | 14K | |
| Makefile.lib | 2005-12-07 12:48 | 1.8K | |
| MkDOS.bat | 2023-10-24 13:47 | 139 | |
| MkDOS.md | 2025-08-06 12:55 | 2.2K | |
| MkDOS.sh | 2023-10-23 17:08 | 120 | |
| MkDOSs.bat | 2023-10-24 13:47 | 217 | |
| ModifyFiles.bat | 2023-10-23 17:08 | 143 | |
| OUTCAR | 2020-08-12 06:24 | 24M | |
| OUTCAR.xsf | 2020-09-25 17:07 | 3.7M | |
| POSCAR | 2020-12-27 13:00 | 1.1K | |
| Phonopy.md | 2025-08-06 12:43 | 2.9K | |
| Phonopy.pl | 2023-10-23 17:08 | 23K | |
| Plot1DLOCPOT.md | 2025-08-06 12:44 | 2.3K | |
| Plot1DLOCPOT.pl | 2023-10-24 13:47 | 2.3K | |
| Plot1DLOCPOTForX.md | 2025-08-06 12:44 | 2.4K | |
| Plot1DLOCPOTForX.pl | 2023-10-24 13:47 | 2.0K | |
| PlotRho.md | 2025-08-06 12:44 | 2.5K | |
| PlotRho.pl | 2023-10-24 13:47 | 15K | |
| ReconstructHybridFun..> | 2025-08-06 12:44 | 2.8K | |
| ReconstructHybridFun..> | 2023-10-23 17:08 | 4.1K | |
| RemoveAtom.bat | 2023-10-24 13:47 | 76 | |
| ShowEg.md | 2025-08-06 12:45 | 1.9K | |
| ShowEg.pl | 2023-10-24 13:47 | 1.2K | |
| ShowStatus.md | 2025-08-06 12:45 | 2.0K | |
| ShowStatus.pl | 2023-10-24 13:47 | 1.3K | |
| SmoothenDOS.md | 2025-08-06 12:45 | 2.0K | |
| SmoothenDOS.pl | 2023-10-24 13:47 | 2.2K | |
| SumDOS.md | 2025-08-06 12:45 | 2.2K | |
| SumDOS.pl | 2023-10-24 13:47 | 1.4K | |
| Summarize.md | 2025-08-06 12:45 | 2.1K | |
| Summarize.pl | 2023-10-24 13:47 | 9.5K | |
| Summarize2.md | 2025-08-06 12:46 | 2.4K | |
| Summarize2.pl | 2023-10-24 13:47 | 13K | |
| SummarizeProperties.md | 2025-08-06 12:46 | 2.5K | |
| SummarizeProperties.pl | 2023-10-24 13:47 | 8.1K | |
| TestJDOS.md | 2025-08-06 12:46 | 2.1K | |
| TestJDOS.pl | 2023-10-24 13:47 | 1.0K | |
| TestReadIonCharges.md | 2025-08-06 12:46 | 2.7K | |
| TestReadIonCharges.pl | 2023-10-24 13:47 | 764 | |
| VASP.md | 2025-08-06 12:47 | 3.1K | |
| VASP.pl | 2024-01-10 16:24 | 73K | |
| VASP2BoltzTraP.md | 2025-08-06 12:47 | 2.9K | |
| VASP2BoltzTraP.pl | 2023-10-24 13:47 | 8.9K | |
| VASP6/ | 2023-12-25 17:11 | - | |
| VASP20160613.md | 2025-08-06 12:47 | 3.2K | |
| VASP20160613.pl | 2023-10-23 17:08 | 55K | |
| VASPFS.md | 2025-08-06 12:48 | 2.6K | |
| VASPFS.pl | 2023-10-23 17:08 | 8.9K | |
| VASPFS.pl20100205 | 2023-10-23 17:08 | 11K | |
| VASPLD.md | 2025-08-06 12:48 | 2.3K | |
| VASPLD.pl | 2023-10-23 17:08 | 4.9K | |
| VASP_ThermalProperti..> | 2025-08-06 12:52 | 2.6K | |
| VASP_ThermalProperti..> | 2023-10-23 17:08 | 9.5K | |
| VASP_ThermalProperti..> | 2025-08-06 12:53 | 3.0K | |
| VASP_ThermalProperti..> | 2023-10-23 17:08 | 9.5K | |
| VASP_test/ | 2025-06-03 12:09 | - | |
| VaryStructure.md | 2025-08-06 12:55 | 2.3K | |
| VaryStructure.sh | 2023-10-23 17:08 | 1.1K | |
| WIEN2kEnergy2VASPKPO..> | 2025-08-06 12:53 | 2.2K | |
| WIEN2kEnergy2VASPKPO..> | 2023-10-23 17:08 | 3.7K | |
| __pycache__/ | 2024-06-20 12:18 | - | |
| bader.bat | 2023-10-23 17:08 | 300 | |
| bader.md | 2025-08-06 12:54 | 2.4K | |
| bader.sh | 2023-10-23 17:08 | 355 | |
| doc/ | 2023-10-23 17:08 | - | |
| energy.bat | 2023-10-23 17:08 | 215 | |
| energy.md | 2025-08-06 12:54 | 1.9K | |
| energy.sh | 2023-10-23 17:08 | 173 | |
| filter/ | 2024-05-23 14:07 | - | |
| gbandedges/ | 2023-10-24 13:47 | - | |
| get_poscar.md | 2025-08-06 12:40 | 2.2K | |
| get_poscar.py | 2024-07-12 11:50 | 2.5K | |
| get_poscar_prev.md | 2025-08-06 12:40 | 1.8K | |
| get_poscar_prev.py | 2024-06-05 18:32 | 1.2K | |
| json2input_xlsx.md | 2025-08-06 12:41 | 2.3K | |
| json2input_xlsx.py | 2024-08-27 12:44 | 14K | |
| jtanaka/ | 2025-07-16 09:19 | - | |
| make_kpoints.md | 2025-08-02 10:49 | 3.0K | |
| make_kpoints.py | 2025-08-04 18:24 | 6.7K | |
| make_md_history.md | 2025-08-06 12:43 | 2.5K | |
| make_md_history.py | 2023-10-24 13:47 | 7.6K | |
| minamishima/ | 2024-03-09 02:16 | - | |
| msd/ | 2023-10-24 13:47 | - | |
| outcar2axsf.md | 2025-08-06 12:43 | 2.6K | |
| outcar2axsf.py | 2023-10-24 13:47 | 6.9K | |
| pdos.md | 2025-08-06 12:43 | 1.9K | |
| pdos.py | 2023-10-23 17:08 | 1.5K | |
| plot_FunctionalDB.md | 2025-08-06 12:44 | 2.0K | |
| plot_FunctionalDB.py | 2024-03-26 13:00 | 1.2K | |
| plugin/ | 2024-05-12 06:36 | - | |
| pydefect.cfg | 2024-05-12 06:35 | 31 | |
| pymatgen/ | 2023-10-24 13:47 | - | |
| read_car.py | 2025-08-15 06:45 | 2.1K | |
| rsysd.md | 2025-08-06 12:45 | 2.5K | |
| rsysd.pl | 2023-10-23 17:08 | 6.1K | |
| script/ | 2023-10-24 13:47 | - | |
| summary/ | 2025-07-31 09:50 | - | |
| template/ | 2023-10-23 17:08 | - | |
| vasp2xlsm/ | 2025-06-23 09:37 | - | |
| vasp_correction_VBM-..> | 2023-10-24 13:47 | 542 | |
| vasp_correction_VBM.md | 2025-08-06 12:49 | 2.8K | |
| vasp_correction_VBM.py | 2023-10-24 13:47 | 34K | |
| vasp_correction_band..> | 2023-10-24 13:47 | 631 | |
| vasp_correction_band..> | 2025-08-06 12:48 | 3.4K | |
| vasp_correction_band..> | 2023-10-24 13:47 | 20K | |
| vasp_correction_char..> | 2023-10-24 13:47 | 241 | |
| vasp_correction_char..> | 2025-08-06 12:48 | 2.7K | |
| vasp_correction_char..> | 2023-10-24 13:47 | 20K | |
| vasp_defect.md | 2025-08-06 12:49 | 3.2K | |
| vasp_defect.py | 2024-08-27 12:58 | 91K | |
| vasp_defect/ | 2023-10-24 13:47 | - | |
| vasp_defect20240425.md | 2025-08-06 12:50 | 3.2K | |
| vasp_defect20240425.py | 2024-04-25 18:45 | 81K | |
| vasp_defect_make_inp..> | 2025-08-06 12:51 | 2.6K | |
| vasp_defect_make_inp..> | 2023-10-24 13:47 | 3.6K | |
| vasp_ef.md | 2025-08-06 12:51 | 2.5K | |
| vasp_ef.py | 2023-10-24 13:47 | 24K | |
| vasp_input.md | 2025-08-06 12:51 | 2.5K | |
| vasp_input.py | 2023-10-24 13:47 | 4.6K | |
| vasp_output.md | 2025-08-06 12:51 | 3.0K | |
| vasp_output.py | 2024-07-20 17:30 | 9.9K | |
| vasp_plot_band-test.bat | 2023-10-24 13:47 | 385 | |
| vasp_plot_band.md | 2025-08-06 12:52 | 2.7K | |
| vasp_plot_band.py | 2024-02-27 11:09 | 14K | |
| vasp_plot_dos-test.bat | 2023-10-24 13:47 | 137 | |
| vasp_plot_dos.md | 2025-08-06 12:52 | 3.2K | |
| vasp_plot_dos.py | 2023-10-24 13:47 | 9.7K | |
| vasp_plot_dos_vasp2d..> | 2025-08-06 12:52 | 3.3K | |
| vasp_plot_dos_vasp2d..> | 2023-10-24 13:47 | 10K | |
| vasp_plot_epsilon-te..> | 2023-10-24 13:47 | 64 | |
| vasp_plot_epsilon.md | 2025-08-06 12:52 | 2.2K | |
| vasp_plot_epsilon.py | 2023-10-24 13:47 | 7.2K | |
| vasp_run/ | 2023-10-23 17:08 | - | |
| vasp_watch.md | 2025-08-06 12:53 | 2.8K | |
| vasp_watch.py | 2023-10-24 13:47 | 10K | |
| vaspkit/ | 2023-10-23 17:08 | - | |
| working/ | 2025-07-16 09:19 | - | |
| xvasp.md | 2025-08-06 12:53 | 2.8K | |
| xvasp.pl | 2023-10-23 17:08 | 5.6K | |