!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:51:00 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Na nuclear charge 11.00 total charge 0.00 number of core states 3 number of valence states 1 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 485 1.024700 0.568182E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 1 ! nshells 1 ! L values 1.00000 ! Z val 1.28917730 ! alpha 2.59 ! 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