From f016cb236d41d1e07a35fdbf1148ee53b7c0da0d Mon Sep 17 00:00:00 2001 From: hackbard Date: Thu, 16 Aug 2007 18:27:55 +0200 Subject: [PATCH] added very simple delta e calc script --- calc_delta_e | 9 +++++++++ 1 file changed, 9 insertions(+) create mode 100755 calc_delta_e diff --git a/calc_delta_e b/calc_delta_e new file mode 100755 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" }' -- 2.20.1