├── MSnebmaker.pl ├── README.md ├── deform.sh ├── deform2.sh ├── drms.sh ├── getIPR.py ├── idealdeform ├── example │ ├── INCAR │ ├── KPOINTS │ ├── POSCAR │ └── POTCAR ├── idealdeform.sh ├── idealdeform2.sh └── plot.sh ├── idpp.py ├── image ├── 1.png ├── 2.png ├── 3.png ├── 4.png └── 5.png ├── isostrain.sh ├── madv.py ├── randomize.sh ├── seriesdeform.sh ├── seriesdeform2.sh ├── sort.py ├── splitdos.py ├── vaspcheck.py ├── vaspeqstress.py └── vaspeqstress ├── INCAR ├── KPOINTS ├── POSCAR ├── POTCAR ├── Vasp定压计算脚本vaspeqstress.sh使用教程.pdf └── vaspeqstress.sh /MSnebmaker.pl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ponychen123/Vasptools/HEAD/MSnebmaker.pl -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ponychen123/Vasptools/HEAD/README.md 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