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bug in ufGW and ufG0W0

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This commit is contained in:
Pierre-Francois Loos 2023-04-12 21:41:30 +02:00
parent 78cefb5759
commit 6515773839
3 changed files with 4 additions and 4 deletions
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4
int/ERI.Hu.dat
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@ -1,2 +1,2 @@
1 1 1 1 5.
2 2 2 2 5.
1 1 1 1 1.
2 2 2 2 1.

2
src/GW/ufG0W0.f90
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@ -54,7 +54,7 @@ subroutine ufG0W0(nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF)
! Dimension of the supermatrix
n2h1p = nO*nO*nS
n2h1p = nO*nO*nV
n2p1h = nV*nV*nO
nH = 1 + n2h1p + n2p1h

2
src/GW/ufGW.f90
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@ -49,7 +49,7 @@ subroutine ufGW(nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF)
! Dimension of the supermatrix
n2h1p = nO*nO*nS
n2h1p = nO*nO*nV
n2p1h = nV*nV*nO
nH = nBas + n2h1p + n2p1h