Requirement: Python 3 Pybuilder Installation: The package is installed by Pybuilder: ie. pyb clean install pyb clean run_unit_tests Command: The some commands are supported convert between VASP POSCAR and gaussian input. v2g.py is converted tool, supports VASP input (POSCAR) to tranform to Gaussian input (.gjf or.com). Usage: v2g -i POSCAR -o xxx.gjf -h : help -i : input file, ie POSCAR -o : output file, ie xxx.gjf, xxx.com ie. v2g -i POSCAR g2v.py is converted tool, supports Gaussian input (.gjf or.com) to tranform to the VASP input (POSCAR). Usage: g2v -i xxx.gjf [-o POSCAR] -h : help -i : input file, ie xxx.gjf, xxx.com -o : output file, ie POSCAR ie. g2v -i xxx.gjf vscan.py is a tool to generate many image for VASP scan job. It needs POSCAR to be input and supports linear, angle and dihedral angle scan function. Usage: vscan.py ie. vascn.py Docker: docker pull wsunccake/vtool3 docker run -itd -v /data:/home/vtool --name vtool3 wsunccake/vtool3 cd /data docker exec -it vtool3 g2v -i xxx.gjf