Bug coorected.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12508 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
puma 2016-06-20 12:06:24 +00:00
parent 6ca4dc2f55
commit d6cc8e9060
2 changed files with 6 additions and 6 deletions

View File

@ -45,7 +45,7 @@ real(kind=DP) prod_test1
real(kind=DP) prod_test2
call start_clock('exc_h_a')
debug=.true.
debug=.false.
if(debug) then
write(stdout,*) 'Starting exc_h_a subroutine'
@ -128,7 +128,7 @@ debug=.true.
! first rotate the excitonic wave function wave vector to use the wannier
! wavefunctions
if(debug) write(stdout,*) 'DEBUG1'
Call urot_a(a_in,a_rot,1)
Call urot_a(a_in,a_rot,0)
if(debug) write(stdout,*) 'DEBUG2'
if(.not.l_contraction) then
call direct_v_exc(a_rot,fc,a_dirv)
@ -139,7 +139,7 @@ debug=.true.
call pc_operator_exc(a_dirv,vstate,1)
if(debug) write(stdout,*) 'DEBUG4'
! and rotate back
call urot_a(a_dirv,a_rot,0)
call urot_a(a_dirv,a_rot,1)
a_dirv%a(1:a_dirv%npw,1:a_dirv%numb_v)=a_rot%a(1:a_rot%npw,1:a_rot%numb_v)
if(debug) write(stdout,*) 'DEBUG5'
@ -153,7 +153,7 @@ debug=.true.
if(.not.l_tdhf) then
call urot_a(a_in,a_rot,1)
call urot_a(a_in,a_rot,0)
if(debug) then
write(stdout,*) 'Before direct_W_exc'
@ -168,7 +168,7 @@ debug=.true.
call pc_operator_exc(a_dirw,vstate,1)
! and rotate back
call urot_a(a_dirw,a_rot,0)
call urot_a(a_dirw,a_rot,1)
a_dirw%a(1:a_dirw%npw,1:a_dirw%numb_v)=a_rot%a(1:a_rot%npw,1:a_rot%numb_v)
call mp_barrier(world_comm)

View File

@ -37,7 +37,7 @@ subroutine rotate_wannier_gamma_bse( rot_u,a_in,a_out,ispin, itrasp)
logical debug
call start_clock('rotate_wannier_gamma_bse')
debug=.true.
debug=.false.
allocate( evc0(npw,a_in%numb_v))
allocate( evc_re(npw,a_in%numb_v))