added very simple delta e calc script

diff --git a/calc_delta_e b/calc_delta_e
new file mode 100755 (executable)
index 0000000..9c5ecda
--- /dev/null
+++ b/calc_delta_e
@@ -0,0 +1,9 @@
+#!/bin/bash
+
+e0=`grep ^0 $1/energy | awk '{ print $4 }'`
+e1=`tail -n 1 $1/energy | awk '{ print $4 }'`
+ev=`grep ^19.000 $1/energy | awk '{ print $4 }'`
+en=`grep ^20.000 $1/energy | awk '{ print $4 }'`
+
+echo "$e0 $e1 $2 $ev $en" | \
+       awk '{ print $5*($3+1)-$4*$3-($2*($3+1)-$1*$3) " eV" }'