htesp.vasp_input¶

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

Functions

`main`([mpid, compound, argv])	main function.
`vasp_input`(mpid, compound)	Download VASP input files from the Materials Project.

htesp.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.

htesp.vasp_input.main(mpid=None, compound=None, argv=None)[source]¶

main function.

mpid/compound may be passed directly; they otherwise come from the command line, keeping the vasp_input.py <mpid> <compound> contract used by htesp.workflow.run_helper.