We present a parallel implementation of the previously developed folded spectrum method for empirical pseudopotential electronic structure calculations. With the parallel implementation we can calculate a small number of electronic states for systems of up to one million atoms. A plane-wave basis is
New atomic pseudopotentials for electronic structure calculations of molecules and solids
β Scribed by Ph. Durand; J.C. Barthelat
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 313 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0009-2614
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