PTEROSOR/QuAcK
10
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2025-05-06 15:14:55 +02:00
Code Releases Activity

bug fixed in complex G0F2 Root search

Browse Source
This commit is contained in:
Loris Burth 2025-03-27 18:02:17 +01:00
parent d49b293c36
commit 68655f9c64
2 changed files with 4 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
src/GF/complex_cRG0F2.f90
View File

@ -84,7 +84,8 @@ subroutine complex_cRG0F2(dotest,dophBSE,doppBSE,TDA,dBSE,dTDA,singlet,triplet,l
write(*,*) ' *** Quasiparticle energies obtained by root search *** '
write(*,*)
call complex_cRGF2_QP_graph(eta,nOrb,nC,nO,nV,nR,Re_eHF,Im_eHF,ERI,Re_eGFlin,Im_eGFlin,Re_eHF,Im_eHF,Re_eGF,Im_eGF,Re_Z,Im_Z)
call complex_cRGF2_QP_graph(eta,nOrb,nC,nO,nV,nR,Re_eHF,Im_eHF,ERI,Re_eGFlin,Im_eGFlin,&
Re_eHF,Im_eHF,Re_eGF,Im_eGF,Re_Z,Im_Z)
end if

4
src/GF/complex_cRGF2_QP_graph.f90
View File

@ -1,7 +1,7 @@
subroutine complex_cRGF2_QP_graph(eta,nBas,nC,nO,nV,nR,Re_eHF,Im_eHF,&
ERI,Re_eGFlin,Im_eGFlin,Re_eOld,Im_eold,Re_eGF,Im_eGF,Re_Z,Im_Z)
! Compute the graphical solution of the GF2 QP equation
! Compute the graphical solution of the complex GF2 QP equation
implicit none
include 'parameters.h'
@ -61,7 +61,7 @@ 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,nO,nV,nR,Re_w,Im_w,Re_eOld,Im_eOld,ERI,&
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_f = Re_w - Re_eHF(p) - Re_SigC