#!/bin/gnuplot set terminal pngcairo size 600,600 enhanced font 'Verdana,10' set output 'plot_pes.png' set xrange[0.5:12.0] set yrange[-8.05:-7.85] # ZOOM: #set xrange[2.0:12.0] #set yrange[-100.05:-99.94] set style line 1 dt 1 lw 1 linecolor rgb "gray" set style line 2 dt 1 lw 1 linecolor rgb "red" set style line 3 dt 1 lw 1 linecolor rgb "green" set style line 4 dt 1 lw 1 linecolor rgb "blue" set style line 5 dt 2 lw 1 linecolor rgb "blue" set style line 6 dt 1 lw 1 linecolor rgb "orange" set xlabel 'Distance (angstrom)' set ylabel 'Energy (Hartree)' plot 'pes_rhf.dat' w l ls 1 notitle, \ 'pes_s0.e2.dat' w l ls 1 notitle, \ 'pes_s2.e2.dat' w l ls 1 notitle, \ 'pes_s2.e3.dat' w l ls 1 notitle, \ 'pes_s4.e3.dat' w l ls 1 notitle, \ 'pes_s0.e4.dat' w l ls 1 notitle, \ 'pes_s2.e4.dat' w l ls 1 notitle, \ 'pes_s4.e4.dat' w l ls 1 notitle, \ 'pes_CISD.dat' w l ls 3 notitle, \ 'pes_CISDT.dat' w l ls 3 notitle, \ 'pes_CISDTQ.dat' w l ls 3 notitle, \ 'pes_CIo1.dat' w l ls 5 notitle, \ 'pes_CIo1.5.dat' w l ls 5 notitle, \ 'pes_CIo2.dat' w l ls 4 notitle, \ 'pes_CIo2.5.dat' w l ls 5 notitle, \ 'pes_CIo3.dat' w l ls 4 notitle, \ 'pes_fci.dat' w l ls 2 notitle #pause -1