From 8f94e0abdd97a8a802cdc4033214804c488c698d Mon Sep 17 00:00:00 2001 From: pfloos Date: Tue, 17 Sep 2024 20:15:06 +0200 Subject: [PATCH] clean up in ccG0W0 --- src/GW/RGW.f90 | 2 +- src/GW/ccRG0W0.f90 | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/src/GW/RGW.f90 b/src/GW/RGW.f90 index c038cad..a48c645 100644 --- a/src/GW/RGW.f90 +++ b/src/GW/RGW.f90 @@ -190,7 +190,7 @@ subroutine RGW(dotest,doG0W0,doevGW,doqsGW,doufG0W0,doufGW,maxSCF,thresh,max_dii call wall_time(end_GW) t_GW = end_GW - start_GW - write(*,'(A65,1X,F9.3,A8)') 'Total wall time for ufGW = ',t_GW,' seconds' + write(*,'(A65,1X,F9.3,A8)') 'Total wall time for ccGW = ',t_GW,' seconds' write(*,*) end if diff --git a/src/GW/ccRG0W0.f90 b/src/GW/ccRG0W0.f90 index a599719..2c67fe3 100644 --- a/src/GW/ccRG0W0.f90 +++ b/src/GW/ccRG0W0.f90 @@ -254,6 +254,7 @@ subroutine ccRG0W0(maxSCF,thresh,max_diis,nBas,nOrb,nC,nO,nV,nR,ERI,ENuc,ERHF,eH write(*,'(1X,A1,1X,I3,1X,A1,1X,F15.10,1X,A1,1X,F15.10,1X,A1,1X,F15.10,1X,A1,1X,F15.10,1X,A1,1X)') & '|',p,'|',eHF(p)*HaToeV,'|',Sig(p)*HaToeV,'|',Z(p),'|',(eHF(p)+Sig(p))*HaToeV,'|' write(*,*)'-------------------------------------------------------------------------------' + write(*,*) end do