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Unit conversion was inconsistent with the definition in INPUT_PW. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@326 c92efa57-630b-4861-b058-cf58834340f0
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dalcorso 2003-10-06 13:21:15 +00:00
parent 194b09d087
commit bf7fb98555
1 changed files with 1 additions and 1 deletions
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PW/input.f90
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@ -612,7 +612,7 @@ subroutine iosys
!
if (celldm_ (1) == 0.d0 .and. a /= 0.d0) then
if (ibrav_ == 0) ibrav = 14
celldm_ (1) = a*bohr_radius_angs
celldm_ (1) = a/bohr_radius_angs
celldm_ (2) = b/a
celldm_ (3) = c/a
celldm_ (4) = cosab