#!/bin/bash

echo "  layers	x	y	cut	k points	E"
echo " ---------------------------------------------------------"

#======================================================#

cd      cutoff
for encut in 300 350 400 500
do
	if [ -e gp_${encut}/OSZICAR ] && [ -e ${encut}/OSZICAR ]; then
		e_ref=`tail -n1 gp_${encut}/OSZICAR | awk '{print $5}'`
		e=`tail -n1 ${encut}/OSZICAR | awk '{print $5}'`

	        cd ${encut}
	        cd ..
	
	        E=`python -c "res=${e}-${e_ref}; print '%6.3f' % res"`
	        echo "  4		3	3	${encut}	4		${E}"
	else
	        echo "  4		3	3	${encut}	4		running"

	fi
done
cd ..

#======================================================#

cd      kpoints
for k in 3 4 8 11
do
	if [ -e gp_${k}/OSZICAR ] && [ -e ${k}/OSZICAR ]; then
	        e_ref=`tail -n1 gp_${k}/OSZICAR | awk '{print $5}'`
	        e=`tail -n1 ${k}/OSZICAR | awk '{print $5}'`

	        cd ${k}
	        cd ..
	
	        E=`python -c "res=${e}-${e_ref}; print '%6.3f' % res"`
	        echo "  4		3	3	350	${k}		${E}"
	else
	        echo "  4		3	3	350	${k}		running"
	fi
	
done
cd ..

#======================================================#