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: https://doi.org/10.5281/zenodo.6343960 GitHub: https://github.com/Augusto-de-Lelis-Araujo/VASProcar-Python-tools-VASP PyPi: https://pypi.org/project/vasprocar ------------------------------------------------------------------------------------------------------------------------------------------------------------------- # Installation - Requirements * Numpy * Scipy * Matplotlib * Plotly * Moviepy * Kaleido - Using Pip: pip install vasprocar - Manual Installation: (unzip the VASProcar_v1.1.18.10.zip file) python manual_installation.py - Run Code: (in the directory containing the VASP or QE output files) python -m vasprocar ------------------------------------------------------------------------------------------------------------------------------------------------------------------- For more informations/questions send an e-mail to: augusto-lelis@outlook.com