[ trixie ]
[ sid ]
套件:libsymspg2(2.4.0-1 以及其他的) [debports]
C library for crystal symmetry determination
Spglib is a C library for crystal symmetry determination. Symmetry operations, space groups and other data can be obtained using this symmetry finder.
Features include:
* Identify space-group type * Find symmetry operations * Find a primitive cell * Search irreducible k-points * Refine crystal structure * Wyckoff position assignment