Small update.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7538 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2011-03-01 15:02:03 +00:00
parent 78e3fd0069
commit 490dac5173
1 changed files with 3 additions and 0 deletions

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@ -177,6 +177,9 @@ cat > Fe.scf_pbe.in << EOF
celldm(1) =5.42,
nat= 1,
ntyp= 1,
nr1=27,
nr2=27,
nr3=27,
noncolin=.true.
lspinorb=.true.
starting_magnetization(1)=0.5,