top of page

Now let us use "gnuplot" to finally draw the band.

#!/usr/local/bin/gnuplot -persist

# Last modified: 2014/01/03 02:33

set terminal postscript eps enhanced 28 lw 2

set output "band.eps"

set ylabel 'Energy (eV)'

 

set xtics ("{/Symbol G}" 0, "K" 0.666666, "M" 1, "{/Symbol G}" 1.5773)

set ytics 5

 

ymin=-20

ymax=6

set xrange [0:1.5773]

set yrange [ymin:ymax]

unset key

 

set arrow 1 nohead from 0.66666,ymin to 0.66666,ymax lt 2

set arrow 2 nohead from 1,ymin to 1,ymax lt 2

 

plot graphene.band.gnu' using 1:2 w l

Make the file "band.plt" using the lines shown in the above and type

$gnuplot band.plt

to get the band as shown in the right.

The Fermi level is -0.4661 eV as you can confirm by looking at the output file of the scf calculation. Fermi level is located at the point denoted as K.

bottom of page