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Small bug when last_q was not specified corrected. 

Change in function errore.

MCB



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9081 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
calandra 2012-06-15 09:03:02 +00:00
parent 80d89ed225
commit 48c26958ee
1 changed files with 3 additions and 4 deletions
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7
PHonon/PH/q_points_wannier.f90
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@ -41,8 +41,7 @@ SUBROUTINE q_points_wannier ( )
nqs=nq1*nq2*nq3
if(last_q.lt.nqs) nqs=last_q
if(last_q.lt.nqs.and.last_q.gt.0) nqs=last_q
allocate (x_q(3,nqmax))
allocate(wan_index_dyn(nqs))
@ -58,7 +57,7 @@ SUBROUTINE q_points_wannier ( )
abs(x_q(3,iq)) .lt. 1.0e-10_dp ) then
exist_gamma = .true.
if (iq .ne. 1) then
call errore('q_points_wannier','first q in Q_POINTS.D must be Gamma',1)
call errore('q_points_wannier','first q in dirfile must be Gamma',1)
end if
end if
end do
@ -74,7 +73,7 @@ SUBROUTINE q_points_wannier ( )
end do
!
IF ( .NOT. exist_gamma) &
CALL errore('q_points','Gamma is not a q point',1)
CALL errore('q_points_wannier','Gamma is not a q point',1)
!
! ... write the information on the grid of q-points to file