utilities:vasp2force
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Reads information from all OUTCAR files in the current directory. <OUTCAR files> is an optional list of files, if not given all files matching OUTCAR* will be scanned (it is possible to read gzipped files ending with .gz). | Reads information from all OUTCAR files in the current directory. <OUTCAR files> is an optional list of files, if not given all files matching OUTCAR* will be scanned (it is possible to read gzipped files ending with .gz). | ||
- | An optional file can be specified, containing the energy of a single free atom calculated by [[http://cms.mpi.univie.ac.at/vasp/|VASP]] in a single line in the same order as in the OUTCAR file, e.g.: | + | An optional file can be specified, containing the energy of a single free atom calculated by [[http://www.vasp.at/|VASP]] in a single line in the same order as in the OUTCAR file, e.g.: |
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utilities/vasp2force.1515142226.txt.gz · Last modified: 2018/01/05 09:50 by daniel