!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:50:44 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Cu nuclear charge 29.00 total charge 0.00 number of core states 5 number of valence states 2 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 525 1.024700 0.215517E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 1 2 ! L values 11.00000 ! Z val 2.68387794 ! alpha 1.72 ! 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