!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:44:05 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Si nuclear charge 14.00 total charge 0.00 number of core states 3 number of valence states 2 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 495 1.024700 0.446429E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 0 1 ! L values 4.00000 ! Z val 1.99999571 ! alpha 1.67 ! 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