From 824c539800aba573e670713f34b4fe2f39a83b77 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Mon, 18 Jan 2016 23:11:55 +0100
Subject: [PATCH] Level shift was misplaced

---
 plugins/Hartree_Fock/diagonalize_fock.irp.f | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/plugins/Hartree_Fock/diagonalize_fock.irp.f b/plugins/Hartree_Fock/diagonalize_fock.irp.f
index 74fb30f2..7c424aeb 100644
--- a/plugins/Hartree_Fock/diagonalize_fock.irp.f
+++ b/plugins/Hartree_Fock/diagonalize_fock.irp.f
@@ -71,8 +71,12 @@
        
 
        ! Insert level shift here
+       do i = elec_beta_num+1, elec_alpha_num
+         F(i,i) += 0.5d0*level_shift
+       enddo
+
        do i = elec_alpha_num+1, mo_tot_num
-         Fock_matrix_mo(i,i) += level_shift
+         F(i,i) += level_shift
        enddo
 
        n = mo_tot_num
@@ -111,10 +115,6 @@
          0.d0, eigenvectors_Fock_matrix_mo, size(eigenvectors_Fock_matrix_mo,1))
        deallocate(work, iwork, F)
 
-       ! Remove level shift 
-       do i = elec_alpha_num+1, mo_tot_num
-         Fock_matrix_mo(i,i) -= level_shift
-       enddo
 
 !  endif