Commit 28b149da authored by dalcorso's avatar dalcorso

Bug fix: task groups + PH + noncollinear were not working. (Courtesy Y. Timrov)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10602 c92efa57-630b-4861-b058-cf58834340f0
parent d2f0c99d
......@@ -54,8 +54,7 @@ subroutine incdrhoscf_nc (drhoscf, weight, ik, dbecsum, dpsi)
! the wavefunctions in real space
! the change of wavefunctions in real space
complex(DP), allocatable :: tg_psi (:,:), tg_dpsi (:,:), tg_drho(:,:), &
aux(:,:)
complex(DP), allocatable :: tg_psi (:,:), tg_dpsi (:,:), tg_drho(:,:)
integer :: ibnd, jbnd, ikk, ir, ig, incr, v_siz, idx, ioff, ipol
! counters
......@@ -64,7 +63,6 @@ subroutine incdrhoscf_nc (drhoscf, weight, ik, dbecsum, dpsi)
IF (ntask_groups > 1 ) dffts%have_task_groups=.TRUE.
allocate (dpsic(dffts%nnr, npol))
allocate (psi (dffts%nnr, npol))
allocate (aux(dfftp%nnr,nspin_mag))
wgt = 2.d0 * weight / omega
ikk = ikks(ik)
incr = 1
......@@ -153,7 +151,7 @@ subroutine incdrhoscf_nc (drhoscf, weight, ik, dbecsum, dpsi)
!
DO ipol=1,nspin_mag
DO ir = 1, dffts%nnr
aux(ir,ipol) = aux(ir,ipol) + tg_drho(ir+ioff,ipol)
drhoscf(ir,ipol) = drhoscf(ir,ipol) + tg_drho(ir+ioff,ipol)
END DO
END DO
ELSE
......@@ -192,7 +190,6 @@ subroutine incdrhoscf_nc (drhoscf, weight, ik, dbecsum, dpsi)
enddo
call addusdbec_nc (ik, weight, dpsi, dbecsum)
deallocate (aux)
deallocate (psi)
deallocate (dpsic)
......
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