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Projected gradient descent algorithm for $\textit{ab initio}$ crystal structure relaxation under a fixed unit cell volume

Fuente: arXiv

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Dettagli Bibliografici
Autori principali:	Hu, Yukuan, Yin, Junlei, Gao, Xingyu, Liu, Xin, Song, Haifeng
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Computational Physics Materials Science Optimization and Control
Accesso online:	Acceder al recurso
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