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q -> p in GGW_self_energy

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Abdallah Ammar 2024-11-05 07:48:49 +01:00
parent d1f9daa3e5
commit 52a1346bdb
1 changed files with 4 additions and 4 deletions
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8
src/GW/GGW_self_energy.f90
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@ -92,7 +92,7 @@ subroutine GGW_self_energy(eta,nOrb,nC,nO,nV,nR,nS,e,Om,rho,EcGM,Sig,Z)
!$OMP PARALLEL &
!$OMP SHARED(Sig,Z,rho,eta,nS,nC,nO,nOrb,nR,e,Om) &
!$OMP PRIVATE(m,i,q,p,eps,num) &
!$OMP PRIVATE(m,i,p,eps,num) &
!$OMP DEFAULT(NONE)
!$OMP DO
do p=nC+1,nOrb-nR
@ -100,7 +100,7 @@ subroutine GGW_self_energy(eta,nOrb,nC,nO,nV,nR,nS,e,Om,rho,EcGM,Sig,Z)
do i=nC+1,nO
eps = e(p) - e(i) + Om(m)
num = rho(p,i,m)*rho(q,i,m)
num = rho(p,i,m)*rho(p,i,m)
Z(p) = Z(p) - num*(eps**2 - eta**2)/(eps**2 + eta**2)**2
end do
@ -113,7 +113,7 @@ subroutine GGW_self_energy(eta,nOrb,nC,nO,nV,nR,nS,e,Om,rho,EcGM,Sig,Z)
!$OMP PARALLEL &
!$OMP SHARED(Sig,Z,rho,eta,nS,nC,nO,nOrb,nR,e,Om) &
!$OMP PRIVATE(m,a,q,p,eps,num) &
!$OMP PRIVATE(m,a,p,eps,num) &
!$OMP DEFAULT(NONE)
!$OMP DO
do p=nC+1,nOrb-nR
@ -121,7 +121,7 @@ subroutine GGW_self_energy(eta,nOrb,nC,nO,nV,nR,nS,e,Om,rho,EcGM,Sig,Z)
do a=nO+1,nOrb-nR
eps = e(p) - e(a) - Om(m)
num = rho(p,a,m)*rho(q,a,m)
num = rho(p,a,m)*rho(p,a,m)
Z(p) = Z(p) - num*(eps**2 - eta**2)/(eps**2 + eta**2)**2
end do