4 echo "not a valid directory ..."
13 if [ ! -f $1/CONTCAR${app} ]; then
14 echo "no vasp data found in $1 ..."
18 files=`ls $1/CONTCAR${app}`
23 ./pc_calc2 $files | grep ^pc | \
24 awk '{ print $2 " " $3 " " $4 " "$5 }' > $1/pc${app}.txt
26 echo "done, pc stored in $1/pc_${app}.txt"