mirror of https://gitlab.com/QEF/q-e.git
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:
parent
26628f09a8
commit
2dce733c55
|
@ -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)
|
||||
|
|
Loading…
Reference in New Issue