**DIRAC .TITLE atomic test calculations .WAVE FUNCTION .ANALYZE .4INDEX **GENERAL .PCMOUT **INTEGRALS *READIN .UNCONTRACTED **HAMILTONIAN .X2C *AMFI .AMFICH +2 **WAVE FUNCTION .SCF .RELCCSD *SCF # Pm-like (Z=61) : ... 4f(14) 5s(0) 5p_average(1) .CLOSED SHELL 28 32 .OPEN SHELL 1 1/0,6 # reads MO .MAXITR 3 **ANALYZE .MULPOP *MULPOP .VECPOP 1..oo 1..oo **MOLTRA # exactly 33 correlated electrons... .ACTIVE energy -50.0 50.0 1.0 energy -50.0 50.0 1.0 **RELCC .ENERGY .TIMING .PRINT 1 # 33 correlated electrons, 5p_average(1) open-shell .NELEC 6 6 11 10 *CCENER .NTOL 7 *CCSORT !.USEOE *END OF