Minor changes to printout of Raman coeffcients

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1876 c92efa57-630b-4861-b058-cf58834340f0

PH/dynmatrix.f90

@@ -108,7 +108,7 @@ subroutine dynmatrix
   !
   if (epsil) call write_epsilon_and_zeu (zstareu, epsilon, nat, iudyn)
   if (zue) call sym_and_write_zue
-  if (lraman) call write_ramtns (ramtns, nat, iudyn)
+  if (lraman) call write_ramtns (iudyn, ramtns)
   !
   !   Diagonalizes the dynamical matrix at q
   !

PH/raman_mat.f90

@@ -260,7 +260,7 @@ subroutine raman_mat
      do iat = 1, nat
         call trntnsr_3 (matram (1, 1, 1, iat), at, bg, 1)
      enddo
-     write(6,'(/,10x,''Raman tensor (A^-1) in cartesian axis '',/)')
+     write(6,'(/,10x,''Raman tensor (au^-1) in cartesian axis '',/)')
 
      if (il == 1) ramtns(:,:,:,:) = matram(:,:,:,:)
      if (wr_all ) call write_raman(matram)
@@ -276,7 +276,12 @@ subroutine raman_mat
         enddo
      enddo
   enddo
-
+  !
+  ! write Raman tensor dchi/du = (omega/4pi)*deps/du in A^2
+  ! it may not be written to file fildyn if trans=.false.
+  !
+  call write_ramtns (6, ramtns)
+  !
   deallocate (wrk       )
   deallocate (matram    )
   deallocate (matw      )

PH/write_ramtns.f90

@@ -6,24 +6,20 @@
 ! or http://www.gnu.org/copyleft/gpl.txt .
 !
 !-----------------------------------------------------------------------
-subroutine write_ramtns (ramtns, nat, iudyn)
+subroutine write_ramtns (iudyn, ramtns)
   !-----------------------------------------------------------------------
   USE kinds, ONLY : DP
-  USE cell_base, ONLY : omega
   USE constants, ONLY : fpi
+  USE cell_base, ONLY : omega
+  USE ions_base, ONLY : nat
+  !
   implicit none
-  ! input variables
-  integer :: iudyn, nat
-  ! unit number
-  ! number of atom in the unit cell
-
-  real(kind=DP) :: ramtns(3, 3, 3, nat)
-  ! the raman tensor
+  integer, intent(in) :: iudyn  ! unit
+  real(kind=DP), intent(in) :: ramtns(3, 3, 3, nat) ! raman tensor
 
   ! local variables
   integer :: na, ic, jc, kc
-  ! counter on atoms
-  ! cartesian coordinate counters
+  ! counters
   real (kind=DP), parameter ::   convfact = 0.529177**2
   ! conversion factor from au^2 to A^2
   !