From ab3423d8e198b3e40e8483eaea42843956ffbf61 Mon Sep 17 00:00:00 2001
From: marsamos <marsamos@c92efa57-630b-4861-b058-cf58834340f0>
Date: Mon, 19 Apr 2010 15:39:44 +0000
Subject: [PATCH] if EXX was active the code restart with density and wave
 functions from the previous iteration but reset rho history. seems to work.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6644 c92efa57-630b-4861-b058-cf58834340f0
---
 PW/electrons.f90 | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/PW/electrons.f90 b/PW/electrons.f90
index 10533e8e6..2bbaa2aef 100644
--- a/PW/electrons.f90
+++ b/PW/electrons.f90
@@ -133,6 +133,11 @@ SUBROUTINE electrons()
         !
      END IF
      !
+     IF( exx_is_active() ) THEN
+       iter = 0
+       call save_in_electrons( iter, dr2 )
+       WRITE( stdout, '(5x,"EXX: now go back to refine exchange calculation")')
+     ENDIF
   END IF
   !
   WRITE( stdout, 9000 ) get_clock( 'PWSCF' )