m = 1. k = 1. # analytic solution for 1D monoatomic chain omega(x) = 2.*sqrt(k/m) * abs(sin(pi*x)) set xlabel 'q' set ylabel '{/Symbol w}' set xr [-0.5:0.5] set yr [0:2.5] set format y '%.1f' set term post enha color 20 set out 'pdisp.eps' set key top left set xtics ("-{/Symbol p}/a" -0.5, "{/Symbol G}" 0.0, "{/Symbol p}/a" 0.5) set samples 101 set grid xtics lt 9 plot omega(x) w l lt 1 lc 3 t 'Theory', 'disp.dat' u 1:5 w p pt 7 ps 1.0 lc 1 t 'MD'