Command Line Tool for quantum chemistry simulation package
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Oct 5, 2018 - Python
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vasp
Here are 199 public repositories matching this topic...
scripts for simplifiing the usual work with results of VASP calculations
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Jun 5, 2023 - Python
Atomic Structure Handler - a flexible java tool for building, manipulating and visualising atomic systems.
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Mar 6, 2017 - AGS Script
Post-processing scripts for VASP output files, with focus on gnuplot formats
physics vasp density-functional-theory density-of-states condensed-matter eigenvalues material-science
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Mar 3, 2018 - Python
Small tool to plot dos, bandstructure and dos+bandstructure with python's matplotlib, using the files generated by vaspkit
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Mar 10, 2024 - Python
Automatically generate the formation energy diagram for multiple defects. Designed for VASP output.
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Nov 3, 2022 - Python
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