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debugging

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This commit is contained in:
Loris Burth 2025-04-17 14:00:33 +02:00
parent f84da77244
commit 248bd930e3
2 changed files with 2 additions and 2 deletions
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2
src/GW/complex_RGW_plot_self_energy.f90
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@ -1,4 +1,4 @@
subroutine RGW_plot_self_energy(nBas,eta,nC,nO,nV,nR,nS,eHF,eGW,Om,rho)
subroutine complex_RGW_plot_self_energy(nBas,eta,nC,nO,nV,nR,nS,eHF,eGW,Om,rho)
! Dump several GW quantities for external plotting

2
src/GW/complex_qsRGW.f90
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@ -297,7 +297,7 @@ subroutine complex_qsRGW(dotest,maxSCF,thresh,max_diis,doACFDT,exchange_kernel,d
! Print results
!call dipole_moment(nBas,P,nNuc,ZNuc,rNuc,dipole_int_AO,dipole)
call dipole_moment(nBas,P,nNuc,ZNuc,rNuc,dipole_int_AO,dipole)
call print_complex_qsRGW(nBas,nOrb,nO,nSCF,Conv,thresh,eHF,eGW,c,SigC,Z, &
ENuc,ET,EV,EW,EJ,EK,EcGM,EcRPA,EqsGW,dipole)