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VaspImport: Crystal structure import from VASP files
Authors

Bianca Eifert
Organization: Justus Liebig University Giessen
Department: AG Festkörpertheorie
Christian Heiliger
Organization: Justus Liebig University Giessen
Department: AG Festkörpertheorie
Revision date

2016-02-09
Description

VaspImport imports crystal structures from various file types associated with the Vienna Ab-Initio Simulation Package (VASP). The package recognizes the following formats: POSCAR, CONTCAR, OUTCAR, XDATCAR, vasprun.xml. More information about VASP can be found on the official website, www.vasp.at.
Subjects

*Science > Chemistry
*Science > Physics
*Science > Physics > Crystallography
*Science > Physics > Solid State Physics
Keywords

crystal, physics, chemistry, materials, ab-initio, dft, vasp
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VaspImport.m (9.1 KB) - Mathematica Package