converter

plovasp.converter

PLOVASP is a tool to transform raw, non-normalized projectors generated by VASP into normalized projectors corresponding to user-defined projected localized orbitals (PLO).

Runs routines in proper order to generate and store PLOs.

Usage: python converter.py <conf-file> [<path-to-vasp-calculation>]

Functions

generate_and_output_as_text(conf_filename, ...)	Parse config file, process VASP data, and store as text.
main()	This function should not be called directly but via a bash script 'plovasp' invoking the main function as follows: