A collaborative Mozilla science project to build a materials science database for calculation results using simulation package VASP
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Updated
Nov 15, 2014 - Python
A collaborative Mozilla science project to build a materials science database for calculation results using simulation package VASP
Atomic Structure Handler - a flexible java tool for building, manipulating and visualising atomic systems.
Simple script that takes charges from a Bader analysis and converts them to effective charges based on the valence electrons in the pseudopotential.
Tool that converts VASP density file (CHGCAR/LOCPOT) to a binary file
Post-processing scripts for VASP output files, with focus on gnuplot formats
A collection of scripts for post-processing the VASP (The Vienna Ab initio simulation package) results
Command Line Tool for quantum chemistry simulation package
Converts anisotropic displacement parameters to different parametrizations and can also handle Phonopy output.
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