XSpectra fixed (why does it use a different copy of read_file?), minor

cleanup


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6410 c92efa57-630b-4861-b058-cf58834340f0

PW/Makefile

@@ -203,7 +203,6 @@ summary.o \
 symme.o \
 symm_base.o \
 symmetrize_at.o \
-symv.o \
 tabd.o \
 transform_becsum_so.o \
 transform_becsum_nc.o \

PW/make.depend

@@ -195,8 +195,6 @@ cft3s.o : ../Modules/fft_base.o
 cft3s.o : ../Modules/fft_parallel.o
 cft3s.o : ../Modules/fft_scalar.o
 cft3s.o : ../Modules/kind.o
-checkallsym.o : ../Modules/kind.o
-checksym.o : ../Modules/kind.o
 clean_pw.o : ../Modules/atom.o
 clean_pw.o : ../Modules/control_flags.o
 clean_pw.o : ../Modules/fft_base.o
@@ -1439,17 +1437,10 @@ symme.o : ../Modules/mp_global.o
 symme.o : ../Modules/parallel_include.o
 symme.o : pwcom.o
 symme.o : symm_base.o
-symme_save.o : ../Modules/cell_base.o
-symme_save.o : ../Modules/constants.o
-symme_save.o : ../Modules/kind.o
-symme_save.o : ../Modules/mp_global.o
-symme_save.o : ../Modules/parallel_include.o
-symme_save.o : pwcom.o
 symmetrize_at.o : ../Modules/io_global.o
 symmetrize_at.o : ../Modules/kind.o
 symmetrize_at.o : pwcom.o
 symmetrize_at.o : symm_base.o
-symv.o : ../Modules/kind.o
 tabd.o : ../Modules/kind.o
 tabd.o : ../Modules/uspp.o
 transform_becsum_nc.o : ../Modules/ions_base.o

PW/symv.f90

@@ -1,65 +0,0 @@
-!
-! Copyright (C) 2009 Quantum ESPRESSO group
-! This file is distributed under the terms of the
-! GNU General Public License. See the file `License'
-! in the root directory of the present distribution,
-! or http://www.gnu.org/copyleft/gpl.txt .
-!
-!-----------------------------------------------------------------------
-subroutine symv (vect, nsym, s, sname, t_rev, at, bg)
-   !--------------------------------------------------------------------
-   !
-   ! This routine symmetrizes a vector keeping only the component that
-   ! remains invariant under the symmetry operations of the crystal.
-   ! On input and on output vect is in cartesian coordinates.
-   ! The vector is supposed to be axial: inversion does not change it. 
-   ! Time reversal changes its sign. Note that only groups compatible with 
-   ! a finite magnetization give an nonzero output vector. 
-   ! 
-   !
-   USE kinds
-   implicit none
-   !
-   !    I/O variables first
-   !
-   integer, intent(in) ::      & ! 
-              nsym,            & ! input: the number of symmetries
-              t_rev(48),       & ! input: the time reversal informations
-              s (3, 3, 48)       ! input: the rotation matrices
-   real(DP), intent(in) :: at(3,3), bg(3,3) 
-   real(DP), intent(inout) :: vect(3)  ! inp/out: the vector to rotate
-   CHARACTER(LEN=45), INTENT(IN) ::  sname(48)   ! name of the symmetries
-   !
-   !   the local variables
-   !
-   integer :: isym               ! counter on symmetries
-
-   real(DP) :: work (3), segno
-
-   if (nsym.eq.1) return
-!
-!  The vector is transformed in crystal axis
-!
-   work(:) = vect(1)*at(1,:) + vect(2)*at(2,:) + vect(3)*at(3,:)
-   vect = work
-!
-!  It is symmetrized
-!
-   work = 0.d0
-   do isym = 1, nsym
-      segno=1.0_DP
-      IF (sname(isym)(1:3)=='inv') segno=-1.0_DP
-      IF (t_rev(isym)==1) segno=-1.0_DP*segno
-      work (:) = work (:) + segno * &
-                       s (:, 1, isym) * vect (1) + &
-                       s (:, 2, isym) * vect (2) + &
-                       s (:, 3, isym) * vect (3)
-   enddo
-   work=work/nsym
-!
-!  And back in cartesian coordinates.
-!
-   vect(:) = work(1) * bg(:,1) + work(2) * bg(:,2) + work(3) * bg(:,3)
-
-   return
-end subroutine symv

XSpectra/read_file_xspectra.f90

@@ -150,11 +150,6 @@ SUBROUTINE read_file_xspectra(xread_wf)
   CALL poolscatter( nbnd, nkstot, et, nks, et )
   CALL poolscatter( nbnd, nkstot, wg, nks, wg )
   !
-  ! ... check on symmetry
-  !
-  IF (nat > 0) CALL checkallsym( nsym, s, nat, tau, &
-                    ityp, at, bg, nr1, nr2, nr3, irt, ftau, alat, omega )
-  !
   ! ... read pseudopotentials
   !
   CALL pw_readfile( 'pseudo', ierr )