diff --git a/src/GF/print_qsGF2.f90 b/src/GF/print_qsGF2.f90 index 33a6e9b..1462e70 100644 --- a/src/GF/print_qsGF2.f90 +++ b/src/GF/print_qsGF2.f90 @@ -63,7 +63,7 @@ subroutine print_qsGF2(nBas,nO,nSCF,Conv,thresh,eHF,eGF2,c,P,T,V,J,K,F,SigC,Z, & write(*,*)'-------------------------------------------------------------------------------' write(*,'(2X,A10,I3)') 'Iteration ',nSCF - write(*,'(2X,A19,F15.5)')'max(|FPS - SPF|) = ',Conv + write(*,'(2X,A14,F15.5)')'Convergence = ',Conv write(*,*)'-------------------------------------------' write(*,'(2X,A30,F15.6,A3)') 'qsGF2 HOMO energy:',eGF2(HOMO)*HaToeV,' eV' write(*,'(2X,A30,F15.6,A3)') 'qsGF2 LUMO energy:',eGF2(LUMO)*HaToeV,' eV' diff --git a/src/GF/print_qsUGF2.f90 b/src/GF/print_qsUGF2.f90 index ffec3c1..f87a9d5 100644 --- a/src/GF/print_qsUGF2.f90 +++ b/src/GF/print_qsUGF2.f90 @@ -91,7 +91,7 @@ subroutine print_qsUGF2(nBas,nO,nSCF,Conv,thresh,eHF,eGF2,cGF2,PGF2,Ov,T,V,J,K, write(*,*)'-------------------------------------------------------------------------------& -------------------------------------------------' write(*,'(2X,A10,I3)') 'Iteration ',nSCF - write(*,'(2X,A19,F15.5)')'max(|FPS - SPF|) = ',Conv + write(*,'(2X,A14,F15.5)')'Convergence = ',Conv write(*,*)'-------------------------------------------------------------------------------& -------------------------------------------------' write(*,'(2X,A30,F15.6,A3)') 'qsUGF2 HOMO energy:',maxval(HOMO(:))*HaToeV,' eV'