. /cluster/apps/courses/mmm/m_functions.bash
module load cp2k/3.0

rm expand
for a in `m_list -5 5`
do 
	l=`m_change 1.0 $a 0.01`
        echo $a $l
	m_xyzrescale $l < fcc.xyz > in.xyz 
        cp2k.popt ene.inp >& ene_$l.out
        energy=`m_getcolumn "ENERGY|" 9 < ene_$l.out` 
        echo $l $energy >> expand
done
