!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:51:10 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Po nuclear charge 84.00 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 0.744048E-04 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 0 1 ! L values 6.00000 ! Z val 1.73342824 ! alpha 2.43 ! 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