On Wed, Feb 17, 2021 at 8:02 AM Hari Paudyal via users < [email protected]> wrote:
> > Could anyone help to figure out what is missing in my pp (attached: > Nb_ONCV_PBE_FR-1.0.upf) > nothing is missing, but one of the "index" attributes has an incorrect value: $ grep -n ' index' Nb_ONCV_PBE_FR-1.0.upf 454: index="1" 614: index="2" 774: index="3" 934: index="4" 1094: index="5" 1254: index="6" 1414: index="7" 1574: index="8" 1734: index="9" 1894: index="*" ... It's a format error that is present in some ONCV pseudopotentials converted to UPF format, when there are more than 9 projectors. It's not a problem because 'index' is read but not used. Previously it wasn't even read. If you do not like the warning message, edit the pseudopotential file at line 1894 Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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