!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:50:35 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Be nuclear charge 4.00 total charge 0.00 number of core states 1 number of valence states 1 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 445 1.024700 0.156250E-02 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 1 ! nshells 1 ! L values 2.00000 ! Z val 2.11108780 ! alpha 1.60 ! 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