Calculate vacuum level from VLINE ( output file of 'vtot') and DOSCAR.
#!/bin/bash
vac=`awk '{printf "%10.6f\n", $2}' VLINE |sort -g |tail -n 2 |sed -n '1p'`
fermi=`sed -n '6p' DOSCAR|awk '{printf "%10.6f\n",$4}'`
echo "Vaccum level="$vac
echo "Fermi level="$fermi
echo "scale=4; $vac-$fermi"|bc -l
참 쉽죠?
