cif2cell online with Winfy
We have hosted the application cif2cell in order to run this application in our online workstations with Wine or directly.
Quick description about cif2cell:
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:
Chemistry, Physics
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