!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:50:43 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Cs nuclear charge 55.00 total charge 0.00 number of core states 11 number of valence states 1 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 551 1.024700 0.113636E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 1 ! nshells 1 ! L values 1.00000 ! Z val 0.66033119 ! alpha 4.06 ! 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