Eliminated useless commit and corrected a small bug for the case ldisp=.true.

MCB



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9076 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
calandra 2012-06-12 15:30:39 +00:00
parent c7dfd02839
commit 772cd237b3
1 changed files with 4 additions and 13 deletions

View File

@ -19,6 +19,7 @@ SUBROUTINE q_points_wannier ( )
USE dfile_autoname, ONLY : dfile_get_qlist USE dfile_autoname, ONLY : dfile_get_qlist
USE dfile_star, ONLY : dvscf_star USE dfile_star, ONLY : dvscf_star
USE io_files, ONLY : prefix USE io_files, ONLY : prefix
USE control_ph, ONLY : last_q
implicit none implicit none
@ -39,24 +40,14 @@ SUBROUTINE q_points_wannier ( )
call errore('q_points','nq1 or nq2 or nq3 <= 0',1) call errore('q_points','nq1 or nq2 or nq3 <= 0',1)
nqs=nq1*nq2*nq3 nqs=nq1*nq2*nq3
if(last_q.lt.nqs) nqs=last_q
allocate (x_q(3,nqmax)) allocate (x_q(3,nqmax))
allocate(wan_index_dyn(nqs)) allocate(wan_index_dyn(nqs))
! !here read q_points ! here read q_points
CALL dfile_get_qlist(x_q, nqs, dvscf_star%ext, TRIM(dvscf_star%dir)//prefix, wan_index_dyn ) CALL dfile_get_qlist(x_q, nqs, dvscf_star%ext, TRIM(dvscf_star%dir)//prefix, wan_index_dyn )
! IF (ionode) inquire (file =TRIM(dvscf_dir)//'Q_POINTS.D', exist = exst)
! if(.not.exst) call errore('q_points_wannier','Q_POINTS.D not existing in dvscf_dir ',1)
! iq_unit = find_free_unit()
! OPEN (unit = iq_unit, file = trim(dvscf_dir)//'Q_POINTS.D', status = 'unknown')
! rewind(iq_unit)
! do i=1,nqs
! read(iq_unit,*) x_q(1,i), x_q(2,i), x_q(3,i), idum, wan_index_dyn(i)
! enddo
! close(iq_unit)
! !
! Check if the Gamma point is one of the points and put ! Check if the Gamma point is one of the points and put
! !