Crystallographic resources


Entered: Tue Apr 10 2012

Operating systems: Linux; MacOS; Unix

Type: Source

Languages: Python

Distribution: Other GPLv3

Application fields: Structure

Bibliography: Björkman, T. (2011). Comput. Phys. Commun., 182, 1183-1186.

Description: CIF2Cell generates the geometrical setup of a crystallographic cell for a number of electronic structure programs from data contained in a CIF file. Generates input for the codes ABINIT, CASTEP, CPMD, Crystal09, Elk, EMTO, Exciting, Fleur, RSPt, Siesta and VASP.


Last updated: 10 Apr 2012