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- Fix required to make CP work even when some processor have no G vectors 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6983 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
ccavazzoni 2010-08-17 21:18:28 +00:00
parent 77dc7c5fd5
commit 88b95c5a0a
1 changed files with 8 additions and 6 deletions
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14
CPV/pseudopot_sub.f90
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@ -983,13 +983,15 @@
c = fpi / sqrt(omega)
do iv = 1, nh(is)
lp = nhtolm(iv,is)
betagl = betagx(1,iv,is)
do i=1,3
do j=1,3
dbeta( 1, iv, is, i, j ) = -0.5d0 * beta( 1, iv, is ) * ainv( j, i ) &
& - c * dylm( 1, lp, i, j ) * betagl ! SEGNO
if( ngw > 0 ) then
betagl = betagx(1,iv,is)
do i=1,3
do j=1,3
dbeta( 1, iv, is, i, j ) = -0.5d0 * beta( 1, iv, is ) * ainv( j, i ) &
& - c * dylm( 1, lp, i, j ) * betagl ! SEGNO
enddo
enddo
enddo
end if
do ig = gstart, ngw
gg = g(ig) * tpiba * tpiba / refg
jj=int(gg)+1