From eca248d34ddee2aeeeec414a6ac393c6543a1088 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Mon, 31 Jan 2022 13:41:07 +0100 Subject: [PATCH] remove print --- input/methods | 2 +- src/GT/G0T0.f90 | 4 ---- src/GW/Bethe_Salpeter_AB_matrix_dynamic.f90 | 8 ++++---- 3 files changed, 5 insertions(+), 9 deletions(-) diff --git a/input/methods b/input/methods index 07cc57d..688d56a 100644 --- a/input/methods +++ b/input/methods @@ -13,7 +13,7 @@ # G0F2* evGF2* qsGF2* G0F3 evGF3 F F F F F # G0W0* evGW* qsGW* ufG0W0 ufGW - F F F F F + T F F F F # G0T0 evGT qsGT T F F # MCMP2 diff --git a/src/GT/G0T0.f90 b/src/GT/G0T0.f90 index 993b94f..11f4415 100644 --- a/src/GT/G0T0.f90 +++ b/src/GT/G0T0.f90 @@ -184,12 +184,8 @@ subroutine G0T0(doACFDT,exchange_kernel,doXBS,BSE,TDA_T,TDA,dBSE,dTDA,evDyn,sing if(linearize) then -! eG0T0(:) = eHF(:) + Z(:)*SigT(:) eG0T0(:) = eHF(:) + Z(:)*(SigX(:) + SigT(:) - Vxc(:)) - call matout(nBas,1,SigX) - call matout(nBas,1,Vxc) - else eG0T0(:) = eHF(:) + SigX(:) + SigT(:) - Vxc(:) diff --git a/src/GW/Bethe_Salpeter_AB_matrix_dynamic.f90 b/src/GW/Bethe_Salpeter_AB_matrix_dynamic.f90 index 2d82750..69b026b 100644 --- a/src/GW/Bethe_Salpeter_AB_matrix_dynamic.f90 +++ b/src/GW/Bethe_Salpeter_AB_matrix_dynamic.f90 @@ -90,16 +90,16 @@ subroutine Bethe_Salpeter_AB_matrix_dynamic(eta,nBas,nC,nO,nV,nR,nS,lambda,eGW,O eps_Am = - OmBSE - OmRPA(kc) - (eGW(b) - eGW(i)) chi_Am = chi_Am + rho_RPA(i,j,kc)*rho_RPA(a,b,kc)*eps_Am/(eps_Am**2 + eta**2) - eps_Bp = + OmBSE - OmRPA(kc) - (eGW(a) - eGW(b)) + eps_Bp = - OmRPA(kc) - (eGW(a) - eGW(b)) chi_Bp = chi_Bp + rho_RPA(i,b,kc)*rho_RPA(a,j,kc)*eps_Bp/(eps_Bp**2 + eta**2) - eps_Bp = + OmBSE - OmRPA(kc) - (eGW(j) - eGW(i)) + eps_Bp = - OmRPA(kc) - (eGW(j) - eGW(i)) chi_Bp = chi_Bp + rho_RPA(i,b,kc)*rho_RPA(a,j,kc)*eps_Bp/(eps_Bp**2 + eta**2) - eps_Bm = - OmBSE - OmRPA(kc) - (eGW(a) - eGW(b)) + eps_Bm = - OmRPA(kc) - (eGW(a) - eGW(b)) chi_Bm = chi_Bm + rho_RPA(i,b,kc)*rho_RPA(a,j,kc)*eps_Bm/(eps_Bm**2 + eta**2) - eps_Bm = - OmBSE - OmRPA(kc) - (eGW(j) - eGW(i)) + eps_Bm = - OmRPA(kc) - (eGW(j) - eGW(i)) chi_Bm = chi_Bm + rho_RPA(i,b,kc)*rho_RPA(a,j,kc)*eps_Bm/(eps_Bm**2 + eta**2) enddo