faq:hfx_eps_warning
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faq:hfx_eps_warning [2023/09/26 12:49] – old revision restored (2023/09/25 15:53) bsertcan | faq:hfx_eps_warning [2023/09/26 12:50] (current) – old revision restored (2023/09/25 19:27) bsertcan | ||
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====== I received a warning message about the Kohn Sham matrix not 100% occupied when doing Hartree-Fock or hybrid calculations, | ====== I received a warning message about the Kohn Sham matrix not 100% occupied when doing Hartree-Fock or hybrid calculations, | ||
- | <note important> | + | <note important> |
When you do a calculation that involves the calculation of the Hartree-Fock exchange (e.g. calculations with hybrid functionals, | When you do a calculation that involves the calculation of the Hartree-Fock exchange (e.g. calculations with hybrid functionals, |
faq/hfx_eps_warning.1695732587.txt.gz · Last modified: 2023/09/26 12:49 by bsertcan