Further cleanup of the zstar output.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5784 c92efa57-630b-4861-b058-cf58834340f0

PH/dynmatrix.f90

@@ -178,6 +178,12 @@ subroutine dynmatrix
         ENDDO
         CALL generate_effective_charges_c (nat,nsym,s,irt,at,bg,n_diff_sites,&
                     equiv_atoms, has_equivalent,asr,nasr,zv,ityp,ntyp,atm,zstar)
+        DO na=1,nat
+           do icart=1,3
+              zstarue(:,na,icart)=zstar(:,icart,na)
+           ENDDO
+        ENDDO
+        CALL summarize_zue()
         DEALLOCATE(zstar)
      ELSE
         CALL sym_and_write_zue

PH/generate_effective_charges_c.f90

@@ -97,18 +97,5 @@ subroutine generate_effective_charges_c &
      ENDDO
   ENDIF
   !
-  ! write Z_{beta}{s,alpha}on standard output
-  !
-
-  WRITE( stdout, '(/,10x,"Effective charges (d P / du) in cartesian axis ",/)' &
-       &)
-  ! WRITE( stdout, '(10x,  "          Z_{beta}{s,alpha} ",/)')
-  do na = 1, nat
-     WRITE( stdout, '(10x," atom ",i6,a6)') na, atm(ityp(na))
-     WRITE( stdout, '(6x,"Px  (",3f15.5," )")')  (zstar (1, j, na), j = 1, 3) 
-     WRITE( stdout, '(6x,"Py  (",3f15.5," )")')  (zstar (2, j, na), j = 1, 3) 
-     WRITE( stdout, '(6x,"Pz  (",3f15.5," )")')  (zstar (3, j, na), j = 1, 3) 
-  enddo
-  !
   return
 end subroutine generate_effective_charges_c

PH/set_defaults_pw.f90

@@ -54,7 +54,6 @@ SUBROUTINE setup_nscf (xq)
   REAL (DP), INTENT(IN) :: xq(3)
   !
   REAL (DP), ALLOCATABLE :: rtau (:,:,:)
-  INTEGER  :: na, nt, irot, isym, is, nb, ierr, ik
   LOGICAL  :: minus_q, magnetic_sym, sym(48)
   !
   INTEGER, EXTERNAL :: n_atom_wfc, copy_sym