X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=vasp_tools%2Fe_form;h=dadc46c68fa046e010178e84e0f32457db8e0d10;hp=5786621e7a13fe104e4751457a5f39c0218ef419;hb=d9b8426ac2fd86c6db3f6567c3a60c97dac54824;hpb=859d3efbd8c9bdc23b2034bc76f6437508b8254f diff --git a/vasp_tools/e_form b/vasp_tools/e_form index 5786621..dadc46c 100755 --- a/vasp_tools/e_form +++ b/vasp_tools/e_form @@ -1,6 +1,6 @@ #!/bin/bash -echo "## `basename $2` - `basename $1` ##" +echo "#### `basename $2` # `basename $1` ####" e1=`./e_coh $1 | grep cohesive | awk '{ print $5 }'` e2=`./e_coh $2 | grep cohesive | awk '{ print $5 }'` @@ -9,5 +9,3 @@ count=`./e_coh $2 | grep total\: | awk '{ print $6 }'` echo "$e1 $e2 $count" | \ awk '{ print "formation energy: "($2-$1)*$3 " eV" }' -echo -