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Spglib: a software library for crystal symmetry search

A computer algorithm to search the symmetries of crystal structures, as implemented in the spglib code, is described. An iterative algorithm is employed to robustly identify space group types, tolerating a certain amount of distortion in the crystal structures. The source code is distributed under t...

Whakaahuatanga katoa

I tiakina i:
Ngā taipitopito rārangi puna kōrero
Ngā kaituhi matua: Atsushi Togo, Kohei Shinohara, Isao Tanaka
Hōputu: Artigo
Reo:Inglês
I whakaputaina: Taylor & Francis Group 2024-12-01
Rangatū:Science and Technology of Advanced Materials: Methods
Ngā marau:
Urunga tuihono:https://www.tandfonline.com/doi/10.1080/27660400.2024.2384822
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