Journal article Open Access
A parallel orbital-updating based plane-wave basis method for electronic structure calculations
Yan Pan; Xiaoying Dai; Stefano De Gironcoli; Xin-Gao Gong; Gian-Marco Rignanese; Aihui Zhou
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Indexed in
- Publication date:
- July 25, 2017
- DOI:
-
- Keyword(s):
- Density functional theory Electronic structure Plane-wave Parallel orbital-updating
- Published in:
- Journal of Computational Physics: 348 pp. 482-492.
- Grants:
-
European Commission:
- E-CAM - An e-infrastructure for software, training and consultancy in simulation and modelling (676531)
- Communities:
- License (for files):
- Creative Commons Attribution 4.0 International