Пакет: c2x (2.40.e+ds-1)

[ Източник: c2x  ]

converter between DFT electronic structure codes formats

This program should convert CASTEP's .check, .castep_bin, orbitals and .cell to various other formats, particularly so that they can be visualised with Jmol, XCrysDen, gnuplot and other programs. It can extract change and spin densities, wavefunctions, symmetry operations, and much else besides. It also interfaces with VASP, Siesta, and other electronic structure codes.

The code can also manipulate .cell and .pdb files, building supercells or performing shifts.

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Архитектура	Големина на пакета	Големина след инсталиране	Файлове
i386	226,0 кБ	622,0 кБ	[списък на файловете]