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dBSE@GT

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This commit is contained in:
Pierre-Francois Loos 2021-10-17 12:49:40 +02:00
parent 0ec1dc47de
commit cb67629aed
2 changed files with 4 additions and 0 deletions
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3
src/MBPT/Bethe_Salpeter_Tmatrix.f90
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@ -139,6 +139,7 @@ subroutine Bethe_Salpeter_Tmatrix(TDA_T,TDA,dBSE,dTDA,evDyn,singlet,triplet,eta,
if(evDyn) then if(evDyn) then
print*, ' Iterative dynamical correction for BSE@GT NYI'
! call Bethe_Salpeter_dynamic_perturbation_iterative(dTDA,eta,nBas,nC,nO,nV,nR,nS,eGW,dipole_int,OmRPA,rho_RPA, & ! call Bethe_Salpeter_dynamic_perturbation_iterative(dTDA,eta,nBas,nC,nO,nV,nR,nS,eGW,dipole_int,OmRPA,rho_RPA, &
! OmBSE(:,ispin),XpY_BSE(:,:,ispin),XmY_BSE(:,:,ispin)) ! OmBSE(:,ispin),XpY_BSE(:,:,ispin),XmY_BSE(:,:,ispin))
else else
@ -178,6 +179,8 @@ subroutine Bethe_Salpeter_Tmatrix(TDA_T,TDA,dBSE,dTDA,evDyn,singlet,triplet,eta,
if(evDyn) then if(evDyn) then
print*, ' Iterative dynamical correction for BSE@GT NYI'
! call Bethe_Salpeter_dynamic_perturbation_iterative(dTDA,eta,nBas,nC,nO,nV,nR,nS,eGW,dipole_int,OmRPA,rho_RPA, & ! call Bethe_Salpeter_dynamic_perturbation_iterative(dTDA,eta,nBas,nC,nO,nV,nR,nS,eGW,dipole_int,OmRPA,rho_RPA, &
! OmBSE(:,ispin),XpY_BSE(:,:,ispin),XmY_BSE(:,:,ispin)) ! OmBSE(:,ispin),XpY_BSE(:,:,ispin),XmY_BSE(:,:,ispin))
else else

1
src/MBPT/Bethe_Salpeter_Tmatrix_dynamic_perturbation.f90
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@ -99,6 +99,7 @@ subroutine Bethe_Salpeter_Tmatrix_dynamic_perturbation(dTDA,eta,nBas,nC,nO,nV,nR
else else
print*, ' Beyond-TDA dynamical correction for BSE@GT NYI'
! Resonant and anti-resonant part of the BSE correction ! Resonant and anti-resonant part of the BSE correction
! call dynamic_Tmatrix_TAB(eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,1d0,eGT,Omega1,Omega2,rho1,rho2,OmBSE(ia), & ! call dynamic_Tmatrix_TAB(eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,1d0,eGT,Omega1,Omega2,rho1,rho2,OmBSE(ia), &