diff --git a/src/GF/complex_cRGF2_QP_graph.f90 b/src/GF/complex_cRGF2_QP_graph.f90 index 1ac8e0a..61684c2 100644 --- a/src/GF/complex_cRGF2_QP_graph.f90 +++ b/src/GF/complex_cRGF2_QP_graph.f90 @@ -55,7 +55,7 @@ subroutine complex_cRGF2_QP_graph(eta,nBas,nC,nO,nV,nR,Re_eHF,Im_eHF,& Im_w = Im_eGFlin(p) nIt = 0 Re_f = 1d0 - Im_f = 0d0 + Im_f = 1d0 do while (abs(cmplx(Re_f,Im_f,kind=8)) > thresh .and. nIt < maxIt) @@ -90,7 +90,7 @@ subroutine complex_cRGF2_QP_graph(eta,nBas,nC,nO,nV,nR,Re_eHF,Im_eHF,& write(*,'(I5,1X,I3,1X,F15.9,1X,F15.9,1X,F10.6)') p,nIt,Re_eGFlin(p)*HaToeV,Re_eGF(p)*HaToeV,Re_Z(p) write(*,'(I5,1X,I3,1X,F15.9,1X,F15.9,1X,F10.6)') p,nIt,Im_eGFlin(p)*HaToeV,Im_eGF(p)*HaToeV,Im_Z(p) - + write(*,*) "e_GF - e_HF - \Sigma(e_GF) = ", sqrt(Re_f**2 + Im_f**2) write(*,*)'-----------------------------------------------------' end if