3 sicnt=`grep 'ions per' $1/OUTCAR | awk '{ print $5 }'`
4 ccnt=`grep 'ions per' $1/OUTCAR | awk '{ print $6 }'`
8 echo "parsing OUTCAR file ..."
9 echo " Si: $sicnt, C: $ccnt, total: $total"
14 energy=`grep energy\ without $1/OUTCAR | tail -1 | awk '{ print $8 }'`
16 echo " total energy: $energy eV"
17 echo "$energy $total" | \
18 awk '{ print " cohesive energy: "$1/$2 " eV" }'