#!/bin/bash

if [ ! -d $1 ]; then
	echo "not a valid directory ..."
	exit
fi

app=""
if [ ! -z $2 ]; then
	app=".${2}"
fi

if [ ! -f $1/CONTCAR${app} ]; then
	echo "no vasp data found in $1 ..."
	exit
fi

files=`ls $1/CONTCAR${app}`

echo "running on:"
echo " $files"

./pc_calc2 $files | grep ^pc | \
	awk '{ print $2 " " $3 " " $4 " "$5 }' > $1/pc${app}.txt

echo "done, pc stored in $1/pc_${app}.txt"