#!/bin/bash


e0=$(grep "IRC (A):" m/OUTCAR|awk '{print $5}'|head -1)

grep "IRC (A):" m/OUTCAR|awk '{print -$3,$5 - "'${e0}'"}' >tmp.tmp
grep "IRC (A):" p/OUTCAR|awk '{print -$3,$5 - "'${e0}'"}' >>tmp.tmp

sort -n tmp.tmp >ircShift.dat
