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/dports/science/atompaw/atompaw-4.1.1.0/src/
H A Datompaw_report.F90717 real(8) :: sqr4pi, term,accum,occ,ctctse,cthatse,rr,eself local
1105 call coretailselfenergy(Grid,PAW,ctctse,cthatse)
1107 WRITE(ifatompaw,'(" CORETAILHATENERGY ",1pe25.17," END")') cthatse
H A Dpseudo.F90785 SUBROUTINE coretailselfenergy(Grid,PAW,ctctse,cthatse) argument
788 REAL(8), INTENT(OUT) :: ctctse,cthatse local
809 cthatse=integrator(Grid,d2(1:irc),1,PAW%irc_shap)
810 write(std_out,*) 'ctctse,cthatse = ', ctctse,cthatse