Spglib / libsymspg

Edit Package spglib

Spglib is a C library to find and handle crystal symmetries.

Features
Find symmetry operations
Identify space-group type
Wyckoff position assignment
Refine crystal structure
Search irreducible k-points
Find a primitive cell

Algorithms
Space-group type finding algorithm: R. W. Grosse-Kunstleve, Acta Cryst., A55, 383-395 (1999)
Crystal refinement algorithm: R. W. Grosse-Kunstleve and P. D. Adams, Acta Cryst., A58, 60-65 (2002)

There is also a python module called pyspglib.

http://spglib.sourceforge.net/

Refresh
Refresh
Source Files
Filename Size Changed
spglib-2.4.0.tar.gz 0002921409 2.79 MB
spglib.changes 0000008371 8.17 KB
spglib.spec 0000004344 4.24 KB
Latest Revision
Comments 0
openSUSE Build Service is sponsored by