4 code implementations • 5 Aug 2018 • Atsushi Togo, Isao Tanaka
A computer algorithm to search symmetries of crystal structures as implemented in the \texttt{spglib} code is described.
Materials Science
2 code implementations • 20 Feb 2016 • Yoyo Hinuma, Giovanni Pizzi, Yu Kumagai, Fumiyasu Oba, Isao Tanaka
An algorithm, for any crystal, to derive a unique description of the crystal structure together with a recommended band path is indispensable for this task.
Materials Science
