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Grid_recover_example updated. outdir directory cleanup updated. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10872 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
dalcorso 2014-04-11 14:10:33 +00:00
parent 67c18c9d24
commit d5f05404f0
2 changed files with 11 additions and 4 deletions
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10
PHonon/examples/GRID_recover_example/run_example
View File

@ -93,7 +93,13 @@ $ECHO
# clean TMP_DIR
$ECHO " cleaning $TMP_DIR...\c"
rm -rf $TMP_DIR/pwscf*
rm -rf $TMP_DIR/alas*
rm -rf $TMP_DIR/_ph0/alas*
for q in `seq 1 8 ` ; do
for irr in `seq 1 6` ; do
rm -rf $TMP_DIR/$q.$irr
done
done
$ECHO " done"
PREFIX='alas'
@ -120,7 +126,7 @@ cat > alas.scf.in << EOF
ATOMIC_SPECIES
Al 26.98 Al.pz-vbc.UPF
As 74.92 As.pz-bhs.UPF
ATOMIC_POSITIONS
ATOMIC_POSITIONS (alat)
Al 0.00 0.00 0.00
As 0.25 0.25 0.25
K_POINTS

5
PHonon/examples/GRID_recover_example/run_example_2
View File

@ -98,7 +98,8 @@ $ECHO
# clean TMP_DIR
$ECHO " cleaning $TMP_DIR...\c"
rm -rf $TMP_DIR/*
rm -rf $TMP_DIR/alas*
rm -rf $TMP_DIR/_ph*/alas*
$ECHO " done"
# self-consistent calculation
@ -123,7 +124,7 @@ cat > alas.scf.in << EOF
ATOMIC_SPECIES
Al 26.98 Al.pz-vbc.UPF
As 74.92 As.pz-bhs.UPF
ATOMIC_POSITIONS
ATOMIC_POSITIONS (alat)
Al 0.00 0.00 0.00
As 0.25 0.25 0.25
K_POINTS