vasp_input

This script will download vasp input files from materials project database. Script is run within ‘download-input’ bash script.

Functions

main()

main function

vasp_input(mpid, compound)

Download VASP input files from the Materials Project.

vasp_input.vasp_input(mpid, compound)[source]

Download VASP input files from the Materials Project. Downloads INCAR, POSCAR, POTCAR, and KPOINTS inside Rmpid-compound/relax folder. Updates ‘mpid.in’ with entry number, mpid, and compound name.

Parameters: - mpid (str): Materials ID. - compound (str): Compound name.

vasp_input.main()[source]

main function