Hi Paolo, Thank you for your detailed explanation, I really appreciate it.
Sincerely, Hari On Wed, Feb 17, 2021 at 3:47 AM Paolo Giannozzi <[email protected]> wrote: > 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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