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quack
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print error in ufGW

This commit is contained in:
Antoine Marie 2023-11-27 13:43:18 +01:00
parent 2347614045
commit 576d1f4b1a
1 changed files with 4 additions and 4 deletions
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8
src/GW/ufGW.f90
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@ -425,7 +425,7 @@ subroutine ufGW(dotest,TDA_W,nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF)
if(abs(H(nBas+ija,s)) > cutoff2) &
write(*,'(1X,A3,I3,A1,I3,A6,I3,A7,1X,F15.6,1X,F15.6)') &
' (',i,',',j,') -> (',a,') ',H(1+ija,s),H(1+ija,s)**2
' (',i,',',j,') -> (',a,') ',H(nBas+ija,s),H(nBas+ija,s)**2
end do
end do
@ -439,7 +439,7 @@ subroutine ufGW(dotest,TDA_W,nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF)
if(abs(H(nBas+n2h1p+iab,s)) > cutoff2) &
write(*,'(1X,A7,I3,A6,I3,A1,I3,A3,1X,F15.6,1X,F15.6)') &
' (',i,') -> (',a,',',b,') ',H(1+n2h1p+iab,s),H(1+n2h1p+iab,s)**2
' (',i,') -> (',a,',',b,') ',H(nBas+n2h1p+iab,s),H(nBas+n2h1p+iab,s)**2
end do
end do
@ -456,7 +456,7 @@ subroutine ufGW(dotest,TDA_W,nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF)
if(abs(H(nBas+ija,s)) > cutoff2) &
write(*,'(1X,A7,I3,A1,I3,A12,1X,F15.6,1X,F15.6)') &
' (',i,',',ja,') ',H(1+ija,s),H(1+ija,s)**2
' (',i,',',ja,') ',H(nBas+ija,s),H(nBas+ija,s)**2
end do
end do
@ -468,7 +468,7 @@ subroutine ufGW(dotest,TDA_W,nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF)
if(abs(H(nBas+n2h1p+iab,s)) > cutoff2) &
write(*,'(1X,A7,I3,A1,I3,A12,1X,F15.6,1X,F15.6)') &
' (',ia,',',b,') ',H(1+n2h1p+iab,s),H(1+n2h1p+iab,s)**2
' (',ia,',',b,') ',H(nBas+n2h1p+iab,s),H(nBas+n2h1p+iab,s)**2
end do
end do