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working in CCGW

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Pierre-Francois Loos 2024-09-16 16:00:04 +02:00
parent 4d66fbc20d
commit 81257ad362
1 changed files with 1 additions and 1 deletions
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src/GW/CCG0W0.f90
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@ -119,7 +119,7 @@ subroutine CCG0W0(maxSCF,thresh,nBas,nOrb,nC,nO,nV,nR,ERI,ENuc,ERHF,eHF)
!------------------------------------------------------------------------ !------------------------------------------------------------------------
write(*,*) write(*,*)
write(*,*)'----------------------------------------------' write(*,*)'----------------------------------------------'
write(*,*)'| CCGW calculation |' write(*,*)'| CC-based G0W0 calculation |'
write(*,*)'----------------------------------------------' write(*,*)'----------------------------------------------'
write(*,'(1X,A1,1X,A3,1X,A1,1X,A10,1X,A1,1X,A10,1X,A1,1X,A10,1X,A1,1X)') & write(*,'(1X,A1,1X,A3,1X,A1,1X,A10,1X,A1,1X,A10,1X,A1,1X,A10,1X,A1,1X)') &
'|','#','|','HOMO','|','LUMO','|','Conv','|' '|','#','|','HOMO','|','LUMO','|','Conv','|'