#!/bin/bash

sicnt=`grep 'ions per' $1/OUTCAR | awk '{ print $5 }'`
ccnt=`grep 'ions per' $1/OUTCAR | awk '{ print $6 }'`

((total=sicnt+ccnt))

echo "parsing OUTCAR file ..."
echo "  Si: $sicnt, C: $ccnt, total: $total"

cnt=0
tcnt=0

energy=`grep energy\ without $1/OUTCAR | tail -1 | awk '{ print $8 }'`

echo "  total energy: $energy eV"
echo "$energy $total" | \
	awk '{ print "  cohesive energy: "$1/$2 " eV" }'

echo