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Bug fix: The recent changes to the conduction band projection 

was not working with US-PP.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2218 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2005-09-24 14:48:22 +00:00
parent f0dfab27a1
commit fc5536622d
1 changed files with 2 additions and 2 deletions
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4
PH/solve_linter.f90
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@ -332,8 +332,8 @@ subroutine solve_linter (irr, imode0, npe, drhoscf)
!
! dpsi is used as work space to store S|evc>
!
CALL ccalbec (nkb, npwx, npwq, nbnd_occ(ikk), becp, vkb, evq)
CALL s_psi (npwx, npwq, nbnd_occ(ikk), evq, dpsi)
CALL ccalbec (nkb, npwx, npwq, nbnd, becp, vkb, evq)
CALL s_psi (npwx, npwq, nbnd, evq, dpsi)
!
! |dvspi> = - (|dvpsi> - S|evq><evq|dvpsi>)
! note the change of sign!