added free energies of Si and C for 650 eV cut-off energy

[physik/posic.git] / vasp_tools / e_form

diff --git a/vasp_tools/e_form b/vasp_tools/e_form
index 5786621..dadc46c 100755 (executable)
--- 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
-