This is the Linux app named CIF2Cell whose latest release can be downloaded as cif2cell-1.2.10.tar.gz. It can be run online in the free hosting provider OnWorks for workstations.
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CIF2Cell
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DESCRIPTION
CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published in Computer Physics Communications 182 (2011) 1183–1186. Please cite generously.
Features
- Generation of crystallographic cells from CIF file data
- Exports many different electronic structure program formats (ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP) as well as some other related formats (.coo, .cfg and .xyz).
- Advanced supercell generation
- Manual/Tutorial
- Stability tested against the Crystallography Open Database and ICSD.
- Documented soure code
Audience
Science/Research, Education, Advanced End Users
User interface
Console/Terminal, Command-line
Programming Language
Python
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/cif2cell/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
