!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:51:31 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Xe nuclear charge 54.00 total charge 0.00 number of core states 9 number of valence states 2 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 551 1.024700 0.115741E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 0 1 ! L values 8.00000 ! Z val 2.05051684 ! alpha 1.82 ! 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