Improved treatment of exact exchange in Quantum ESPRESSO
| Autor: | Barnes, Taylor A., Kurth, Thorsten, Carrier, Pierre, Wichmann, Nathan, Prendergast, David, Kent, Paul R.C., Deslippe, Jack |
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| Zdroj: | In Computer Physics Communications May 2017 214:52-58 |
| Databáze: | ScienceDirect |
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Full Text from ScienceDirect