vasprocar

VASProcar Copyright (C) 2023 - GNU GPL-3.0 license

VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP or QE code, through an interactive user interface.

VASProcar extracts information and results from the following VASP output files (CONTCAR, KPOINTS, OUTCAR, PROCAR, DOSCAR, LOCPOT, PARCHG and vasprun.xml) or QE output files (scf.in, scf.out, nscf.in, nscf.out, bands.in, bands.out, projwfc.in, projwfc.out, "filband", "filproj".projwfc_up and "filpdos".pdos_atm#_wfc).

Please use the following DOI (10.5281/zenodo.6343960) to cite the use of the code in publications.

Repositories: ZENODO, GitHub, and PyPi

For more informations/questions send an e-mail to: [e-mail]

Installation

• Requirements

  • Numpy
  • Scipy
  • Matplotlib
  • Plotly
  • Moviepy
  • Kaleido

• Using Pip:

  pip install vasprocar
  

• Manual Installation:

  python manual_installation.py
  

• Run Code:

  python -m vasprocar