diff --git a/src/GW/RG0W0.f90 b/src/GW/RG0W0.f90 index 4fe9008..97f0766 100644 --- a/src/GW/RG0W0.f90 +++ b/src/GW/RG0W0.f90 @@ -146,9 +146,11 @@ subroutine RG0W0(dotest,doACFDT,exchange_kernel,doXBS,dophBSE,dophBSE2,TDA_W,TDA end if -! Cumulant expansion +!--------------------! +! Cumulant expansion ! +!--------------------! - call RGWC(dotest,nBas,nC,nO,nR,nS,Om,rho,eHF,eGW,Z) + call RGWC(dotest,nBas,nC,nO,nR,nS,Om,rho,eGW,Z) ! call GW_plot_self_energy(nBas,nC,nO,nV,nR,nS,eHF,eHF,Om,rho) diff --git a/src/GW/evRGW.f90 b/src/GW/evRGW.f90 index 1dc5541..ee92faf 100644 --- a/src/GW/evRGW.f90 +++ b/src/GW/evRGW.f90 @@ -205,6 +205,12 @@ subroutine evRGW(dotest,maxSCF,thresh,max_diis,doACFDT,exchange_kernel,doXBS,dop end if +!--------------------! +! Cumulant expansion ! +!--------------------! + + call RGWC(dotest,nBas,nC,nO,nR,nS,Om,rho,eGW,Z) + ! Deallocate memory deallocate(Aph,Bph,eOld,Z,SigC,Om,XpY,XmY,rho,error_diis,e_diis)