Chemistry structure file converters News

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/).

CTRL2POSCAR: You can convert CTRL-Files (LMTO) to POSCAR-Files (VASP)...

For more information go to project wiki: https://chestrucon.wiki.sourceforge.net/