vasprocar

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/QE codes, through an interactive user interface.

1.1.19.152

PyPI

Maintainers: 1

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

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: augusto-lelis@outlook.com

Installation

Requirements
- Numpy
- Scipy
- Matplotlib
- Plotly
- Moviepy
- Kaleido

Using Pip:

pip install vasprocar

Manual Installation:
```
python manual_installation.py
```
Run Code:
```
python -m vasprocar
```

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