Dear all,I am creating US-PPs and PAWs with the atomic code of QE at least for all the actinides at the moment. I hope the project will be finished by the end of the year and will result in a publication :).
Best regards, Malte Am 05.07.20 um 16:35 schrieb Lorenzo Paulatto:
Hello,you can find some pseudopotentials for some heavier elements by selecting another library in the left column of the web page. A part from that, building pseudpotentials for these heavy elements is a very difficult task. I doubt that anybody will tackle it (especially for the non-existing elements) without a strong return (money, publications or at least glory)cheers On 7/4/20 5:18 PM, Ilias Miroslav, doc. RNDr., PhD. wrote:Dear all,I checked the available pseudopotentials at http://www.quantum-espresso.org/pseudopotentials and I wonder if there would be fully relativistic PP up to Z=118 (currently these are up to Z=94).Miro _______________________________________________Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
-- Malte Sachs Anorganische Chemie, Fluorchemie Philipps-Universität Marburg Hans-Meerwein-Straße 4 35032 Marburg (Paketpost: 35043 Marburg) Tel.: +49 (0)6421 28 - 25 68 0 http://www.uni-marburg.de/fb15/ag-kraus/
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