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.
homepage: https://sourceforge.net/projects/cif2cell
| version | versionsuffix | toolchain |
|---|---|---|
1.2.10 |
-Python-2.7.16 |
GCCcore/8.3.0 |
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