Evaluating Hellmann-Feynman forces within non-local pseudopotentials

0534787 - FZÚ 2021 RIV NL eng J - Journal Article
Novák, Matyáš - Vackář, Jiří - Cimrman, R.
Evaluating Hellmann-Feynman forces within non-local pseudopotentials.
Computer Physics Communications. Roč. 250, May (2020), s. 1-10, č. článku 107034. ISSN 0010-4655. E-ISSN 1879-2944
R&D Projects: GA ČR(CZ) GA17-12925S; GA ČR GA17-14840S
Institutional support: RVO:68378271
Keywords : ab-initio calculations * electronic structure * pseudopotential * Hellman-Feynman forces
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.390, year: 2020
Method of publishing: Limited access
https://doi.org/10.1016/j.cpc.2019.107034

Permanent Link: http://hdl.handle.net/11104/0312957