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potential_extrapolation => {wfc,pot}_extrapolation 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1571 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2005-01-19 14:33:32 +00:00
parent 5a8f290016
commit 514c80892b
1 changed files with 6 additions and 3 deletions
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9
examples/example04/run_example
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@ -94,7 +94,8 @@ cat > si.md2.in << EOF
mixing_beta = 0.7
/
&ions
potential_extrapolation='wfc2'
pot_extrapolation='second-order'
wfc_extrapolation='second-order'
/
ATOMIC_SPECIES
Si 28.086 Si.vbc.UPF
@ -135,7 +136,8 @@ cat > si.md8.in << EOF
mixing_beta = 0.7
/
&ions
potential_extrapolation='wfc2'
pot_extrapolation='second-order'
wfc_extrapolation='second-order'
/
ATOMIC_SPECIES
Si 28.086 Si.vbc.UPF
@ -182,7 +184,8 @@ cat > si.md2_G3X.in << EOF
mixing_beta = 0.7
/
&ions
potential_extrapolation='wfc2'
pot_extrapolation='second-order'
wfc_extrapolation='second-order'
/
ATOMIC_SPECIES
Si 28.086 Si.vbc.UPF