#/bin/bash

a1=$(cat pydftd3/param | awk '{print $1}')
s8=$(cat pydftd3/param | awk '{print $2}')
a2=$(cat pydftd3/param | awk '{print $3}')

cd pydftd3/com

python2.7 ../pyDFTD3.py -damp bj -s6 1.0000 -s8 $s8 -a1 $a1 -a2 $a2 $(ls) > ../d3_energy

cd ../..
