Evaluating Hellmann-Feynman forces within non-local pseudopotentials

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SYSNO	0534787
Title	Evaluating Hellmann-Feynman forces within non-local pseudopotentials
Author(s)	Novák, Matyáš (FZU-D)_ORCID Vackář, Jiří (FZU-D)_{RID, ORCID} Cimrman, R. (CZ)
Corespondence/senior	Novák, Matyáš - Korespondující autor Vackář, Jiří - Korespondující autor
Source Title	Computer Physics Communications. Roč. 250, May (2020), s. 1-10. - : Elsevier
Article number	107034
Document Type	Článek v odborném periodiku
Grant	GA17-12925S GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
	GA17-14840S GA ČR - Czech Science Foundation (CSF)
Institutional support	FZU-D - RVO:68378271
Language	eng
Country	NL
Keywords	ab-initio calculations * electronic structure * pseudopotential * Hellman-Feynman forces
URL	https://doi.org/10.1016/j.cpc.2019.107034
Permanent Link	http://hdl.handle.net/11104/0312957

Number of the records: 1