!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:50:39 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Cd nuclear charge 48.00 total charge 0.00 number of core states 8 number of valence states 3 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 547 1.024700 0.130208E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 0 2 ! L values 12.00000 ! Z val 1.63038564 ! alpha 2.57 ! 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