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[ 原始碼: c2x  ]

套件:c2x(2.35a+ds-1)

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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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硬體架構 套件大小 安裝後大小 檔案
mipsel 169。8 kB545。0 kB [檔案列表]