A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
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Apr 27, 2025 - Python
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vasp-files
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A suite of scripts and modules that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.
python python-library python-script python3 vasp computational-chemistry computational-physics python-3 materials-science computational-science computational-materials vasp-files
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Dec 8, 2024 - Python
In this repository, you can find some tools designed to post-process the results of VASP simulations.
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Jun 7, 2024 - Python
Calculate determined track direction of s, p or d (include atoms without spin ) band centers from VASP DOSCAR files using python 3.Bug fixed of d-band-center.py ref 'https://github.com/hitarth64/d-band-center'
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Apr 16, 2024 - Python
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May 12, 2025 - Python
This package is a wrapper around the k-point grid generator developed by the Mueller Group at Johns Hopkins University.
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Apr 8, 2025 - Python
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