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quantum-espresso
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mispelled variable... sorry 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2793 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
degironc 2006-02-09 08:44:04 +00:00
parent eacf41b7e8
commit 56210fe18a
1 changed files with 8 additions and 8 deletions
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PW/exx.f90
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@ -835,7 +835,7 @@ contains
else
fac(ig)= - exxdiv ! & ! or rather something else (see F.Gygi)
! - e2*fpi ! THIS ONLY APPLYS TO HYDROGEN
if (yukawa .gt. 1.d-8 .and. .not. gamma_extrapolation) then
if (yukawa.gt.1.d-8 .and. .not. x_gamma_extrapolation) then
fac(ig) = fac(ig) + e2*fpi/(tpiba2*qq + yukawa )
end if
end if
@ -951,7 +951,7 @@ contains
q(2)= xq(2) + g(2,ig)
q(3)= xq(3) + g(3,ig)
qq = ( q(1)*q(1) + q(2)*q(2) + q(3)*q(3) )
if (gamma_extrapolation) then
if (x_gamma_extrapolation) then
on_double_grid = .true.
x= 0.5d0*(q(1)*at(1,1)+q(2)*at(2,1)+q(3)*at(3,1))*nq1
on_double_grid = on_double_grid .and. (abs(x-nint(x))<eps)
@ -975,18 +975,18 @@ contains
call reduce (1, div)
if (gamma_only) then
div = 2.d0 * div
if (yukawa .le. 1.d-8) then
div = div + alpha
else
div = div - tpiba2/yukawa
if ( .not. x_gamma_extrapolation ) then
if (yukawa .le. 1.d-8) then
div = div + alpha
else
div = div - tpiba2/yukawa
end if
end if
end if
div = div * e2 * fpi / tpiba2 / nqs
alpha = alpha / tpiba2
nqq = 100000
dq = 5.0 / sqrt(alpha) /nqq