From 035eb7d68d620977a5f82c6cfaadf33f602faffa Mon Sep 17 00:00:00 2001
From: Niri Govind <niri.govind@pnl.gov>
Date: Fri, 9 May 2014 05:37:39 +0000
Subject: [PATCH] minor change

---
 src/nwdft/scf_dft/dft_scf.F | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/src/nwdft/scf_dft/dft_scf.F b/src/nwdft/scf_dft/dft_scf.F
index 1076e2aecb..6653ef47a1 100644
--- a/src/nwdft/scf_dft/dft_scf.F
+++ b/src/nwdft/scf_dft/dft_scf.F
@@ -1718,6 +1718,13 @@ c
      &           'Calculation failed to converge', 20, .true.)
             write(LuOut,*)
          endif
+c
+c        Tally up last energy 
+         if (nExc.eq.1)then
+              Etnew = Ecore + Ecoul + Exc(1) + Edisp
+         else
+              Etnew = Ecore + Ecoul + Exc(1) + Exc(2) + Edisp
+         endif
 c
          dft_time = dft_time+util_cpusec()
          if (nexc.le.1)then