Precision and efficiency in solid-state pseudopotential calculations
Precision and efficiency in solid-state pseudopotential calculations
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Publisher
London: Nature Publishing Group UK
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Language
English
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Publisher
London: Nature Publishing Group UK
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Despite the enormous success and popularity of density-functional theory, systematic verification and validation studies are still limited in number and scope. Here, we propose a protocol to test publicly available pseudopotential libraries, based on several independent criteria including verification against all-electron equations of state and pla...
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Full title
Precision and efficiency in solid-state pseudopotential calculations
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TN_cdi_proquest_journals_2151203840
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2151203840
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ISSN
2057-3960
E-ISSN
2057-3960
DOI
10.1038/s41524-018-0127-2
