Bug fix: plot_num=12 was not working.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1772 c92efa57-630b-4861-b058-cf58834340f0

PP/punch_plot.f90

@@ -53,7 +53,7 @@ SUBROUTINE punch_plot (filplot, plot_num, sample_bias, z, dz, &
   CHARACTER(len=*) :: filplot
   INTEGER :: kpoint, kband, spin_component, plot_num
   LOGICAL :: stm_wfc_matching, lsign
-  REAL(kind=DP) :: sample_bias, z, dz
+  REAL(kind=DP) :: sample_bias, z, dz, dummy
   REAL(kind=DP) :: emin, emax, wf, charge
 
   INTEGER :: is, ik, ibnd, ir, ninter, nspin_eff
@@ -202,11 +202,11 @@ SUBROUTINE punch_plot (filplot, plot_num, sample_bias, z, dz, &
      if (noncolin) nspin_eff=1
      CALL v_h (rho(1,1), nr1, nr2, nr3, nrx1, nrx2, nrx3, nrxx, &
        nl, ngm, gg, gstart, nspin_eff, alat, omega, ehart, charge, raux)
-     IF (tefield.AND.dipfield) CALL add_efield(raux)
+     IF (tefield.AND.dipfield) CALL add_efield(rho,raux,dummy,1)
   ELSEIF (plot_num == 12) THEN
      raux=0.d0
      IF (tefield) THEN
-         CALL add_efield(raux)
+         CALL add_efield(rho,raux,dummy,1)
      ELSE
          CALL errore('punch_plot','e_field is not calculated',-1)
      ENDIF

PW/add_efield.f90

@@ -18,7 +18,7 @@
 #include "f_defs.h"
 !
 !--------------------------------------------------------------------------
-SUBROUTINE add_efield(rho,vpoten,etotefield)
+SUBROUTINE add_efield(rho,vpoten,etotefield,iflag)
   !--------------------------------------------------------------------------
   !
   !   This routine adds an electric field to the local potential. The
@@ -60,6 +60,8 @@ SUBROUTINE add_efield(rho,vpoten,etotefield)
   REAL(KIND=DP) :: rho(nrxx,nspin) ! the density whose dipole is computed
   REAL(KIND=DP) :: vpoten(nrxx) ! the ef is added to this potential
   REAL(KIND=DP) :: etotefield   ! the contribution to etot due to ef
+
+  INTEGER :: iflag
   !
   ! local variables
   !
@@ -78,7 +80,7 @@ SUBROUTINE add_efield(rho,vpoten,etotefield)
 
 
   IF (.NOT.tefield) RETURN
-  IF ((.NOT.dipfield).AND. (.NOT.first)) RETURN
+  IF ((.NOT.dipfield).AND. (.NOT.first).and. (iflag.EQ.0)) RETURN
 
   bmod=SQRT(bg(1,edir)**2+bg(2,edir)**2+bg(3,edir)**2)
   IF(edir.EQ.1) THEN

PW/setlocal.f90

@@ -57,7 +57,7 @@ subroutine setlocal
 !
 
   if (tefield.and.(.not.dipfield)) then
-     call add_efield(rho,vltot,etotefield)
+     call add_efield(rho,vltot,etotefield,0)
 ! NB rho is not actually used by add_efield in this case ...
 !    it should be fixed and removed from this routine
   endif

PW/v_of_rho.f90

@@ -71,7 +71,7 @@ subroutine v_of_rho (rho, rho_core, nr1, nr2, nr3, nrx1, nrx2, &
   !  add an electric field
   ! 
   do is=1,nspin
-     call add_efield(rho,v(1,is),etotefield)
+     call add_efield(rho,v(1,is),etotefield,0)
   enddo
   call stop_clock ('v_of_rho')
   return