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Algorithm for spin symmetry operation search
Kohei Shinohara, Atsushi Togo, Hikaru Watanabe +3
A spin space group provides a suitable way to fully exploit the symmetry of a spin arrangement with a negligible spin-orbit coupling. There has been a growing interest in applying…
Implementation strategies in phonopy and phono3py
Atsushi Togo, Laurent Chaput, Terumasa Tadano +1
Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software projects, from anywhere, remotely via the in…
Algorithms for magnetic symmetry operation search and identification of magnetic space group from magnetic crystal structure
Kohei Shinohara, Atsushi Togo, Isao Tanaka
A crystal symmetry search is crucial for computational crystallography and materials science. Although algorithms and implementations for the crystal symmetry search have been deve…