diff --git a/src/HF/GHF_search.f90 b/src/HF/GHF_search.f90 index e983ab5..b33c5b1 100644 --- a/src/HF/GHF_search.f90 +++ b/src/HF/GHF_search.f90 @@ -146,7 +146,7 @@ subroutine GHF_search(maxSCF,thresh,max_diis,guess_type,mix,level_shift,nNuc,ZNu call phLR_A(ispin,.false.,nBas2,nC,nO,nV,nR,nS,1d0,e,ERI_MO,Aph) call phLR_B(ispin,.false.,nBas2,nC,nO,nV,nR,nS,1d0,ERI_MO,Bph) - AB(:,:) = Aph(:,:) + Bph(:,:) + AB(:,:) = Aph(:,:) - Bph(:,:) call diagonalize_matrix(nS,AB,Om) Om(:) = 0.5d0*Om(:)