mirror of https://gitlab.com/QEF/q-e.git
The previous commit contained a change that wasn't supposed to be there
(I was verifying if phonon can be run after a vc-relax run; it actually does and no changes are needed since the data file does not appear as produced by a vc-relax run) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11095 c92efa57-630b-4861-b058-cf58834340f0
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@ -87,7 +87,7 @@ $ECHO " done"
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# self-consistent calculation
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cat > si.scf.in << EOF
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&control
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calculation='vc-relax',
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calculation='scf',
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restart_mode='from_scratch',
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prefix='silicon'
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pseudo_dir = '$PSEUDO_DIR/',
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@ -101,8 +101,6 @@ cat > si.scf.in << EOF
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mixing_beta = 0.7
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conv_thr = 1.0d-8
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/
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&ions /
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&cell /
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ATOMIC_SPECIES
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Si 28.086 Si.pz-vbc.UPF
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ATOMIC_POSITIONS (alat)
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