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Problems with paw after recent changes to the pseudopotential variables. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4354 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2007-10-20 12:14:35 +00:00
parent 26628f09a8
commit 2dce733c55
1 changed files with 1 additions and 0 deletions
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Modules/read_paw.f90
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@ -415,6 +415,7 @@ subroutine set_pseudo_paw (is, pawset)
do nb=1,pawset%nwfc
upf(is)%kbeta(nb)=pawset%ikk(nb)
end do
upf(is)%kkbeta=MAXVAL (upf(is)%kbeta(:))
allocate (upf(is)%beta(1:pawset%grid%mesh, 1:pawset%nwfc))
upf(is)%beta(1:pawset%grid%mesh, 1:pawset%nwfc) = &
pawset%proj(1:pawset%grid%mesh, 1:pawset%nwfc)