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scaling down the eigenvalues in stability analysis
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@ -44,6 +44,7 @@ subroutine GHF_stability(nBas,nC,nO,nV,nR,nS,eHF,ERI)
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AB(:,:) = A(:,:) + B(:,:)
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call diagonalize_matrix(nS,AB,Om)
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Om(:) = 0.5d0*Om(:)
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write(*,*)'-------------------------------------------------------------'
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write(*,*)'| Stability analysis: Real GHF -> Real GHF |'
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@ -78,6 +79,7 @@ subroutine GHF_stability(nBas,nC,nO,nV,nR,nS,eHF,ERI)
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AB(:,:) = A(:,:) - B(:,:)
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call diagonalize_matrix(nS,AB,Om)
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Om(:) = 0.5d0*Om(:)
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write(*,*)'-------------------------------------------------------------'
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write(*,*)'| Stability analysis: Real GHF -> Complex GHF |'
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@ -44,6 +44,7 @@ subroutine RHF_stability(nBas,nC,nO,nV,nR,nS,eHF,ERI)
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AB(:,:) = A(:,:) + B(:,:)
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call diagonalize_matrix(nS,AB,Om)
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Om(:) = 0.5d0*Om(:)
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write(*,*)'-------------------------------------------------------------'
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write(*,*)'| Stability analysis: Real RHF -> Real RHF |'
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@ -78,6 +79,7 @@ subroutine RHF_stability(nBas,nC,nO,nV,nR,nS,eHF,ERI)
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AB(:,:) = A(:,:) - B(:,:)
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call diagonalize_matrix(nS,AB,Om)
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Om(:) = 0.5d0*Om(:)
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write(*,*)'-------------------------------------------------------------'
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write(*,*)'| Stability analysis: Real RHF -> Complex RHF |'
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@ -117,6 +119,7 @@ subroutine RHF_stability(nBas,nC,nO,nV,nR,nS,eHF,ERI)
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AB(:,:) = A(:,:) + B(:,:)
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call diagonalize_matrix(nS,AB,Om)
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Om(:) = 0.5d0*Om(:)
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write(*,*)'-------------------------------------------------------------'
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write(*,*)'| Stability analysis: Real RHF -> Real UHF |'
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@ -57,6 +57,7 @@ subroutine UHF_stability(nBas,nC,nO,nV,nR,nS,eHF,ERI_aaaa,ERI_aabb,ERI_bbbb)
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AB_sc(:,:) = A_sc(:,:) + B_sc(:,:)
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call diagonalize_matrix(nS_sc,AB_sc,Om_sc)
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Om_sc(:) = 0.5d0*Om_sc(:)
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write(*,*)'-------------------------------------------------------------'
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write(*,*)'| Stability analysis: Real UHF -> Real UHF |'
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@ -91,6 +92,7 @@ subroutine UHF_stability(nBas,nC,nO,nV,nR,nS,eHF,ERI_aaaa,ERI_aabb,ERI_bbbb)
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AB_sc(:,:) = A_sc(:,:) - B_sc(:,:)
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call diagonalize_matrix(nS_sc,AB_sc,Om_sc)
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Om_sc(:) = 0.5d0*Om_sc(:)
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write(*,*)'-------------------------------------------------------------'
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write(*,*)'| Stability analysis: Real UHF -> Complex UHF |'
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@ -140,6 +142,7 @@ subroutine UHF_stability(nBas,nC,nO,nV,nR,nS,eHF,ERI_aaaa,ERI_aabb,ERI_bbbb)
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AB_sf(:,:) = A_sf(:,:) + B_sf(:,:)
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call diagonalize_matrix(nS_sf,AB_sf,Om_sf)
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Om_sf(:) = 0.5d0*Om_sf(:)
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write(*,*)'-------------------------------------------------------------'
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write(*,*)'| Stability analysis: Real UHF -> Real GHF |'
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