diff --git a/src/GF/cRGF2_Im_SigC.f90 b/src/GF/cRGF2_Im_SigC.f90 index 8e9338e..6583314 100644 --- a/src/GF/cRGF2_Im_SigC.f90 +++ b/src/GF/cRGF2_Im_SigC.f90 @@ -34,7 +34,7 @@ double precision function cRGF2_Im_SigC(p,Re_w,Im_w,eta,nBas,nC,nO,nV,nR,eHF,e_c do a=nO+1,nBas-nR eps = Re_w + eHF(a) - eHF(i) - eHF(j) - eta_tilde = eta - Im_w + e_cap(i) + e_cap(a) - e_cap(j) + eta_tilde = eta - Im_w + e_cap(i) -( e_cap(a) - e_cap(j)) num = (2d0*ERI(p,a,i,j) - ERI(p,a,j,i))*ERI(p,a,i,j) cRGF2_Im_SigC = cRGF2_Im_SigC + num*eta_tilde/(eps**2 + eta_tilde**2) diff --git a/src/GF/cRGF2_Im_dSigC.f90 b/src/GF/cRGF2_Im_dSigC.f90 index 1678817..9bdf7e7 100644 --- a/src/GF/cRGF2_Im_dSigC.f90 +++ b/src/GF/cRGF2_Im_dSigC.f90 @@ -33,7 +33,7 @@ double precision function cRGF2_Im_dSigC(p,Re_w,Im_w,eta,nBas,nC,nO,nV,nR,eHF,e_ do j=nC+1,nO do a=nO+1,nBas-nR eps = Re_w + eHF(a) - eHF(i) - eHF(j) - eta_tilde = eta - Im_w + e_cap(i) + e_cap(a) - e_cap(j) + eta_tilde = eta - Im_w + e_cap(i) -( e_cap(a) - e_cap(j)) num = (2d0*ERI(p,a,i,j) - ERI(p,a,j,i))*ERI(p,a,i,j) cRGF2_Im_dSigC = cRGF2_Im_dSigC - 2d0*num*eps*eta_tilde/(eps**2 + eta_tilde**2)**2 end do diff --git a/src/GF/cRGF2_Re_SigC.f90 b/src/GF/cRGF2_Re_SigC.f90 index 11329f1..eafec42 100644 --- a/src/GF/cRGF2_Re_SigC.f90 +++ b/src/GF/cRGF2_Re_SigC.f90 @@ -34,7 +34,7 @@ double precision function cRGF2_Re_SigC(p,Re_w,Im_w,eta,nBas,nC,nO,nV,nR,eHF,e_c do a=nO+1,nBas-nR eps = Re_w + eHF(a) - eHF(i) - eHF(j) - eta_tilde = eta - Im_w + e_cap(i) + e_cap(a) - e_cap(j) + eta_tilde = eta - Im_w + e_cap(i) -(e_cap(a) - e_cap(j)) num = (2d0*ERI(p,a,i,j) - ERI(p,a,j,i))*ERI(p,a,i,j) cRGF2_Re_SigC = cRGF2_Re_SigC + num*eps/(eps**2 + eta_tilde**2) end do diff --git a/src/GF/cRGF2_Re_dSigC.f90 b/src/GF/cRGF2_Re_dSigC.f90 index 2d74c8f..4f75e9f 100644 --- a/src/GF/cRGF2_Re_dSigC.f90 +++ b/src/GF/cRGF2_Re_dSigC.f90 @@ -33,7 +33,7 @@ double precision function cRGF2_Re_dSigC(p,Re_w,Im_w,eta,nBas,nC,nO,nV,nR,eHF,e_ do a=nO+1,nBas-nR eps = Re_w + eHF(a) - eHF(i) - eHF(j) - eta_tilde = eta - Im_w + e_cap(i) + e_cap(a) - e_cap(j) + eta_tilde = eta - Im_w + e_cap(i) - (e_cap(a) - e_cap(j)) cRGF2_Re_dSigC = cRGF2_Re_dSigC -& (2d0*ERI(p,a,i,j) - ERI(p,a,j,i))*ERI(p,a,i,j)*(eps**2 - eta_tilde**2)/(eps**2 + eta_tilde**2)**2 diff --git a/src/GF/cRGF2_self_energy_diag.f90 b/src/GF/cRGF2_self_energy_diag.f90 index 40727ff..0c701dc 100644 --- a/src/GF/cRGF2_self_energy_diag.f90 +++ b/src/GF/cRGF2_self_energy_diag.f90 @@ -50,7 +50,7 @@ subroutine cRGF2_self_energy_diag(eta,nBas,nC,nO,nV,nR,e,ERI,Re_SigC,Im_SigC,Re_ do a=nO+1,nBas-nR eps = e(p) + e(a) - e(i) - e(j) - eta_tilde = eta - e_cap(p) + e_cap(i) + e_cap(a) - e_cap(j) + eta_tilde = eta - e_cap(p) + e_cap(i) - (e_cap(a) - e_cap(j)) num = (2d0*ERI(p,a,i,j) - ERI(p,a,j,i))*ERI(p,a,i,j) Re_SigC(p) = Re_SigC(p) + num*eps/(eps**2 + eta_tilde**2) diff --git a/src/GF/complex_cRGF2_self_energy_diag.f90 b/src/GF/complex_cRGF2_self_energy_diag.f90 index 1ce1e0f..e743abd 100644 --- a/src/GF/complex_cRGF2_self_energy_diag.f90 +++ b/src/GF/complex_cRGF2_self_energy_diag.f90 @@ -52,7 +52,7 @@ write(*,*) "DEBUGGING CHANGE BACK" do a=nO+1,nBas-nR eps = Re_e(p) + Re_e(a) - Re_e(i) - Re_e(j) - eta_tilde = eta - Im_e(p) + Im_e(i) + Im_e(a) - Im_e(j) + eta_tilde = eta - Im_e(p) + Im_e(i) - (Im_e(a) - Im_e(j)) num = (2d0*ERI(p,a,i,j) - 0*ERI(p,a,j,i))*ERI(p,a,i,j) z_dummy = num*cmplx(eps/(eps**2 + eta_tilde**2),eta_tilde/(eps**2 + eta_tilde**2),kind=8) Re_SigC(p) = Re_SigC(p) + real(z_dummy) diff --git a/src/GF/complex_cRGF_SigC_dSigC.f90 b/src/GF/complex_cRGF_SigC_dSigC.f90 index dcdb06c..396cab5 100644 --- a/src/GF/complex_cRGF_SigC_dSigC.f90 +++ b/src/GF/complex_cRGF_SigC_dSigC.f90 @@ -49,7 +49,7 @@ write(*,*) "DEbugging change back" do a=nO+1,nBas-nR eps = Re_w + Re_e(a) - Re_e(i) - Re_e(j) - eta_tilde = eta - Im_w + Im_e(i) + Im_e(a) - Im_e(j) + eta_tilde = eta - Im_w + Im_e(i) - (Im_e(a) - Im_e(j)) num = (2d0*ERI(p,a,i,j) - 0*ERI(p,a,j,i))*ERI(p,a,i,j) z_dummy = num*cmplx(eps/(eps**2 + eta_tilde**2),eta_tilde/(eps**2 + eta_tilde**2),kind=8) Re_SigC = Re_SigC + real(z_dummy)