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Bug fix: phonons of metals at the gamma point might be unprecise when 

ecutrho > 4 ecutwfc and the Fermi energy changes (systems with several atoms
in the unit cell).


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9993 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2013-02-19 16:21:43 +00:00
parent c84a640180
commit 9b732c9a24
1 changed files with 2 additions and 2 deletions
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PHonon/PH/ef_shift.f90
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@ -139,7 +139,7 @@ subroutine ef_shift (drhoscf, ldos, ldoss, dos_ef, irr, npe, flag)
enddo
do ipert = 1, npert (irr)
do is = 1, nspin_mag
call zaxpy (dffts%nnr, def(ipert), ldoss(1,is), 1, drhoscf(1,is,ipert), 1)
call zaxpy (dfftp%nnr, def(ipert), ldos(1,is), 1, drhoscf(1,is,ipert), 1)
enddo
enddo
endif
@ -289,7 +289,7 @@ subroutine ef_shift_paw (drhoscf, dbecsum, ldos, ldoss, becsum1, &
enddo
do ipert = 1, npert (irr)
do is = 1, nspin_mag
call zaxpy (dffts%nnr, def(ipert), ldoss(1,is), 1, drhoscf(1,is,ipert), 1)
call zaxpy (dfftp%nnr, def(ipert), ldos(1,is), 1, drhoscf(1,is,ipert), 1)
enddo
enddo
endif