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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| CalDielectricConstant/ | 2023-10-24 13:47 | - | |
| CheckConvergence/ | 2023-10-24 13:47 | - | |
| Defects/ | 2023-10-24 13:47 | - | |
| Functional/ | 2025-05-26 15:59 | - | |
| MD/ | 2023-10-23 17:08 | - | |
| MinimizeC/ | 2023-10-23 17:08 | - | |
| Pressure/ | 2023-10-24 13:47 | - | |
| VCA/ | 2023-10-23 17:08 | - | |
| go/ | 2024-05-25 13:21 | - | |
| map/ | 2023-10-24 13:47 | - | |
| mass/ | 2023-10-23 17:08 | - | |
| hosts | 2023-10-23 17:08 | 17 | |
| RWIGS.ini | 2023-10-24 13:47 | 98 | |
| summarize.bat | 2023-10-24 13:47 | 129 | |
| delete_large_files.sh | 2023-10-23 17:08 | 147 | |
| MkSummary_DOS.bat | 2023-10-24 13:47 | 161 | |
| MkSummary_DOS.sh | 2023-10-23 17:08 | 165 | |
| MkSummary.bat | 2023-10-24 13:47 | 192 | |
| MkSummary.sh | 2023-10-23 17:08 | 207 | |
| delete_large_files.bat | 2023-10-24 13:47 | 291 | |
| bader.sh | 2023-10-23 17:08 | 300 | |
| SymmetryInfo.sh | 2023-10-23 17:08 | 318 | |
| NextCalc-MultiStep.sh | 2023-10-23 17:08 | 494 | |
| delete_extra_files.sh | 2023-10-23 17:08 | 552 | |
| NextCalc.sh | 2023-10-23 17:08 | 573 | |
| delete_extra_files.bat | 2023-10-24 13:47 | 611 | |
| MakeInputFromCIF.bat | 2023-10-24 13:47 | 666 | |
| MakeSummaryCSV2Param..> | 2023-10-23 17:08 | 703 | |
| ExpandSymmetry.sh | 2023-10-23 17:08 | 1.5K | |
| Plot1DLOCPOTForX.pl | 2023-10-24 13:47 | 2.0K | |
| Plot1DLOCPOT.pl | 2023-10-24 13:47 | 2.3K | |
| ConvAB.pl | 2023-10-24 13:47 | 2.6K | |
| ConvMetal.pl | 2023-10-24 13:47 | 3.0K | |
| dH-P.pl | 2023-10-24 13:47 | 3.3K | |
| ConvertKPOINTS.pl | 2023-10-24 13:47 | 3.3K | |
| P-dH.pl | 2023-10-24 13:47 | 3.8K | |
| CalIR.sh | 2023-10-23 17:08 | 4.2K | |
| ModifyINCARforPBE0.pl | 2023-10-23 17:08 | 4.9K | |
| CopyPOSCARFlags.pl | 2023-10-23 17:08 | 5.4K | |
| EffectiveMassFromBan..> | 2023-10-23 17:08 | 5.4K | |
| CopyPOSCARFlags2.pl | 2023-10-23 17:08 | 5.5K | |
| MergePositionsInCIFs.pl | 2023-10-23 17:08 | 6.7K | |
| MakeSummaryCSV.pl | 2023-10-23 17:08 | 7.6K | |
| SummarizeProperties.pl | 2023-10-24 13:47 | 8.1K | |
| SummaryEffectiveMass.pl | 2023-10-23 17:08 | 8.3K | |
| Summarize.pl | 2023-10-24 13:47 | 9.6K | |
| MakeSummaryHTML.pl | 2023-10-23 17:08 | 9.8K | |
| FormationEnergyPlots.pl | 2023-10-23 17:08 | 10K | |
| AddMDHistory.pl | 2023-10-24 13:47 | 12K | |
| DoPhonopy.sh | 2023-10-23 17:08 | 13K | |
| CreateMoleculeCIF.pl | 2023-10-24 13:47 | 13K | |
| DoPhonopy-Template20..> | 2023-10-23 17:08 | 13K | |
| DoPhonopy-Template20..> | 2023-10-23 17:08 | 13K | |
| Summarize2.pl | 2023-10-24 13:47 | 13K | |
| MakeSummaryCSV2ForAd..> | 2023-10-23 17:08 | 14K | |
| MakeSummaryCSV2.pl | 2023-10-23 17:08 | 14K | |
| PlotRho.pl | 2023-10-24 13:47 | 15K | |
| DoVASP.sh | 2023-10-23 17:08 | 65K | |
| DoVASP - コピー.sh | 2023-10-23 17:08 | 65K | |
| DoVASP-V2.sh | 2023-10-23 17:08 | 66K | |