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GW+C

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Pierre-Francois Loos 2024-02-19 14:08:50 +01:00
parent 940544b16f
commit 6027b12ce2
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src/GW/ufG0W0.f90
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@ -116,7 +116,7 @@ subroutine ufG0W0(dotest,TDA_W,nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF)
! Main loop over orbitals ! ! Main loop over orbitals !
!-------------------------! !-------------------------!
do p=nO-3,nO do p=nO,nO
H(:,:) = 0d0 H(:,:) = 0d0