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Debuggin complex G0F2

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Loris Burth 2025-03-31 11:01:56 +02:00
parent d742e16a6d
commit 45a372cf6b
1 changed files with 2 additions and 2 deletions
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src/GF/complex_cRGF2_QP_graph.f90
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@ -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