Collection of scripts converting structure data files into different formats (e.g. CTRL to POSCAR).
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0.2 -------------- - 2008-06-22 - -------------- .: Fixing matrix in contcar2ins.awk 0.2 -------------- - 2008-04-01 - -------------- .: Add contcar2ins.sh -------------- - 2007-11-20 - -------------- .: Add missing matrix transpose .: Restructure project (add trunk, tags, branches) 0.1 -------------- - 2007-11-15 - -------------- .: Add CHANGELOG -------------- - 2007-11-14 - -------------- .: Upload all file - project init .: Test ctrl2poscar.awk
Fixing a defect in matrix
Conversion of CONTCAR- and POSCAR-files produced by VASP into ins-files in space group P1 (no. 1). ins-files can be visualized by many crystal and molecular structure vizulaisation programms (e.g. Diamond (http://www.crystalimpact.com/diamond/Default.htm)) and can be transformed into ins-files with correct symmetry by PLATON (http://www.cryst.chem.uu.nl/platon/).
0.2 -------------- - 2008-04-01 - -------------- .: Add contcar2ins.sh -------------- - 2007-11-20 - -------------- .: Add missing matrix transpose .: Restructure project (add trunk, tags, branches) 0.1 -------------- - 2007-11-15 - -------------- .: Add CHANGELOG -------------- - 2007-11-14 - -------------- .: Upload all file - project init .: Test ctrl2poscar.awk
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