├── LICENSE ├── README.md ├── easyvasp ├── dealjob.py ├── easyjob.py ├── file │ ├── INCAR_bader.txt │ ├── INCAR_band.txt │ ├── INCAR_dos.txt │ ├── INCAR_freq.txt │ ├── INCAR_neb.txt │ ├── INCAR_neb2.txt │ ├── INCAR_optim.txt │ ├── INCAR_scf.txt │ ├── INCAR_vacp.txt │ ├── kpoints_line.txt │ ├── sub.sh │ └── vaspjob.pbs ├── incar.py └── tool.py ├── easyvasp教程.docx └── setup.py /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/999938825/easyvasp/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/999938825/easyvasp/HEAD/README.md -------------------------------------------------------------------------------- /easyvasp/dealjob.py: -------------------------------------------------------------------------------- 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