!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:50:36 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Bi nuclear charge 83.00 total charge 0.00 number of core states 13 number of valence states 2 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 569 1.024700 0.753012E-04 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 0 1 ! L values 5.00000 ! Z val 1.04103625 ! alpha 2.55 ! 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