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fixed buggy computation in root search of Z

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Loris Burth 2025-03-27 18:13:08 +01:00
parent 68655f9c64
commit 88c835ae2a
1 changed files with 1 additions and 1 deletions
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src/GF/complex_cRGF2_QP_graph.f90
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@ -62,7 +62,7 @@ subroutine complex_cRGF2_QP_graph(eta,nBas,nC,nO,nV,nR,Re_eHF,Im_eHF,&
nIt = nIt + 1
call complex_cRGF_SigC_dSigC(p,eta,nBas,nC,nO,nV,nR,Re_w,Im_w,Re_eOld,Im_eOld,ERI,&
Re_SigC,Im_SigC,Re_Z,Im_Z)
Re_SigC,Im_SigC,Re_dSigC,Im_dSigC)
Re_f = Re_w - Re_eHF(p) - Re_SigC
Im_f = Im_w - Im_eHF(p) - Im_SigC