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Bug fix: recover with convt=.true. was not working with PAW. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9748 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2013-01-07 10:00:56 +00:00
parent 8c668a5c4b
commit 5f02d6776b
1 changed files with 6 additions and 2 deletions
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8
PHonon/PH/solve_linter.f90
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@ -153,8 +153,12 @@ SUBROUTINE solve_linter (irr, imode0, npe, drhoscf)
! restart from Phonon calculation
IF (okpaw) THEN
CALL read_rec(dr2, iter0, npe, dvscfin, dvscfins, drhoscfh, dbecsum)
CALL setmixout(npe*dfftp%nnr*nspin_mag,(nhm*(nhm+1)*nat*nspin_mag*npe)/2, &
mixin, dvscfin, dbecsum, ndim, -1 )
IF (convt) THEN
CALL PAW_dpotential(dbecsum,rho%bec,int3_paw,npe)
ELSE
CALL setmixout(npe*dfftp%nnr*nspin_mag,&
(nhm*(nhm+1)*nat*nspin_mag*npe)/2,mixin,dvscfin,dbecsum,ndim,-1)
ENDIF
ELSE
CALL read_rec(dr2, iter0, npe, dvscfin, dvscfins, drhoscfh)
ENDIF