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erased optional attribute for tab_d2y in pw2gw.f90 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7634 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
marsamos 2011-03-29 13:28:58 +00:00
parent 0e4c9fc288
commit 6fd099ff1f
1 changed files with 11 additions and 36 deletions
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47
PP/pw2gw.f90
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@ -446,21 +446,16 @@ SUBROUTINE compute_gw( use_gmaps )
size_tab_d2y=size(tab_d2y,1)
ALLOCATE(vec_tab(1:size_tab))
IF(spline_ps) ALLOCATE(vec_tab_d2y(1:size_tab_d2y))
ALLOCATE(vec_tab_d2y(1:size_tab_d2y))
DO nt = 1, ntyp
DO nb = 1, upf(nt)%nbeta
vkb0(:) = 0.0_dp
vec_tab(:) = 0.0_dp
IF(spline_ps) vec_tab_d2y(:) = 0.0_dp
vec_tab_d2y(:) = 0.0_dp
vec_tab(:) = tab(:,nb,nt)
IF(spline_ps) THEN
WRITE(0,*) "size vec_tab_d2y", size(vec_tab_d2y,1)
WRITE(0,*) "size tab_d2y", size(tab_d2y,1)
vec_tab_d2y(:) = tab_d2y(:,nb,nt)
CALL gen_us_vkb0(ik,npw,vkb0,size_tab,vec_tab,spline_ps,vec_tab_d2y)
ELSE
CALL gen_us_vkb0(ik,npw,vkb0,size_tab,vec_tab,spline_ps)
ENDIF
IF(spline_ps) vec_tab_d2y(:) = tab_d2y(:,nb,nt)
CALL gen_us_vkb0(ik,npw,vkb0,size_tab,vec_tab,spline_ps,vec_tab_d2y)
WRITE(15,*) "---------------DEBUG-VKB0----------------------"
WRITE(15,*) "ik= ", ik
WRITE(15,*) "nt= ", nt
@ -489,19 +484,15 @@ SUBROUTINE compute_gw( use_gmaps )
size_tab_d2y=size(tab_d2y,1)
ALLOCATE(vec_tab(1:size_tab))
IF(spline_ps) ALLOCATE(vec_tab_d2y(1:size_tab_d2y))
ALLOCATE(vec_tab_d2y(1:size_tab_d2y))
DO nt = 1, ntyp
DO nb = 1, upf(nt)%nbeta
djl(:) = 0.0_dp
vec_tab(:) = 0.0_dp
IF(spline_ps) vec_tab_d2y(:) = 0.0_dp
vec_tab_d2y(:) = 0.0_dp
vec_tab(:) = tab(:,nb,nt)
IF(spline_ps) THEN
vec_tab_d2y(:) = tab_d2y(:,nb,nt)
CALL gen_us_djl(ik,npw,djl,size_tab,vec_tab,spline_ps,vec_tab_d2y)
ELSE
CALL gen_us_djl(ik,npw,djl,size_tab,vec_tab,spline_ps)
ENDIF
IF(spline_ps) vec_tab_d2y(:) = tab_d2y(:,nb,nt)
CALL gen_us_djl(ik,npw,djl,size_tab,vec_tab,spline_ps,vec_tab_d2y)
! WRITE(0,*) "---------------DEBUG-----------------------"
! WRITE(0,*) "spline: ", spline_ps
! WRITE(0,*) "ik= ", ik
@ -1114,15 +1105,6 @@ SUBROUTINE diropn_gw (unit, filename, recl, exst, mpime, nd_nmbr_ )
RETURN
END SUBROUTINE diropn_gw
!
! Copyright (C) 2010 Layla Martin-Samos
! 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 gen_us_djl (ik,npw,djl,size_tab,vec_tab, spline_ps, vec_tab_d2y)
!----------------------------------------------------------------------
@ -1147,7 +1129,7 @@ subroutine gen_us_djl (ik,npw,djl,size_tab,vec_tab, spline_ps, vec_tab_d2y)
integer, intent(in) :: ik, npw
integer, intent(in) :: size_tab
real(DP), intent(in) :: vec_tab(1:size_tab)
real(DP), optional, intent(in) :: vec_tab_d2y(1:size_tab)
real(DP), intent(in) :: vec_tab_d2y(1:size_tab)
logical :: spline_ps
!
integer :: i0, i1, i2, &
@ -1210,13 +1192,6 @@ subroutine gen_us_djl (ik,npw,djl,size_tab,vec_tab, spline_ps, vec_tab_d2y)
return
end subroutine gen_us_djl
!
! Copyright (C) 2010 Layla Martin-Samos
! 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 gen_us_vkb0 (ik,npw,vkb0,size_tab,vec_tab, spline_ps, vec_tab_d2y)
!----------------------------------------------------------------------
@ -1241,7 +1216,7 @@ subroutine gen_us_vkb0 (ik,npw,vkb0,size_tab,vec_tab, spline_ps, vec_tab_d2y)
integer, intent(in) :: ik, npw
integer, intent(in) :: size_tab
real(DP), intent(in) :: vec_tab(1:size_tab)
real(DP), optional, intent(in) :: vec_tab_d2y(1:size_tab)
real(DP), intent(in) :: vec_tab_d2y(1:size_tab)
logical :: spline_ps
!
integer :: na, nt, nb, ikb,i0, i1, i2, &