[ trixie ]
[ sid ]
[ 原始碼： spglib ]
套件：libsymspg2（2.4.0-1）
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