X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=vasp_tools%2Fe_form;fp=vasp_tools%2Fe_form;h=5786621e7a13fe104e4751457a5f39c0218ef419;hp=0000000000000000000000000000000000000000;hb=88c1733cf107670db154954879b59bc7bb8ce3f2;hpb=0d2f9a11030dff3583104dac5d4dcb9f040a1327

diff --git a/vasp_tools/e_form b/vasp_tools/e_form
new file mode 100755
index 0000000..5786621
--- /dev/null
+++ b/vasp_tools/e_form
@@ -0,0 +1,13 @@
+#!/bin/bash
+
+echo "## `basename $2` - `basename $1` ##"
+
+e1=`./e_coh $1 | grep cohesive | awk '{ print $5 }'`
+e2=`./e_coh $2 | grep cohesive | awk '{ print $5 }'`
+count=`./e_coh $2 | grep total\: | awk '{ print $6 }'`
+
+echo "$e1 $e2 $count" | \
+	awk '{ print "formation energy: "($2-$1)*$3 " eV" }'
+
+echo
+