#!/bin/gnuplot #set terminal pngcairo size 600,600 enhanced font 'Verdana,10' #set output 'plot_error.png' #set xrange[0.5:12.0] #set yrange[0.0:0.16] # ZOOM: set xrange[0.5:12.0] set yrange[0.0:0.00018] 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 error (Hartree)' plot '< paste pes_fci.dat pes_rhf.dat' using 1:($4-$2) w l ls 1 notitle, \ '< paste pes_fci.dat pes_s0.e2.dat' using 1:($4-$2) w l ls 1 notitle, \ '< paste pes_fci.dat pes_s2.e2.dat' using 1:($4-$2) w l ls 1 notitle, \ '< paste pes_fci.dat pes_s2.e3.dat' using 1:($4-$2) w l ls 1 notitle, \ '< paste pes_fci.dat pes_s4.e3.dat' using 1:($4-$2) w l ls 1 notitle, \ '< paste pes_fci.dat pes_s0.e4.dat' using 1:($4-$2) w l ls 1 notitle, \ '< paste pes_fci.dat pes_s2.e4.dat' using 1:($4-$2) w l ls 1 notitle, \ '< paste pes_fci.dat pes_s4.e4.dat' using 1:($4-$2) w l ls 1 notitle, \ '< paste pes_fci.dat pes_CISD.dat' using 1:($4-$2) w l ls 3 notitle, \ '< paste pes_fci.dat pes_CISDT.dat' using 1:($4-$2) w l ls 3 notitle, \ '< paste pes_fci.dat pes_CISDTQ.dat' using 1:($4-$2) w l ls 3 notitle, \ '< paste pes_fci.dat pes_CIo1.dat' using 1:($4-$2) w l ls 5 notitle, \ '< paste pes_fci.dat pes_CIo1.5.dat' using 1:($4-$2) w l ls 5 notitle, \ '< paste pes_fci.dat pes_CIo2.dat' using 1:($4-$2) w l ls 4 notitle, \ '< paste pes_fci.dat pes_CIo2.5.dat' using 1:($4-$2) w l ls 5 notitle, \ '< paste pes_fci.dat pes_CIo3.dat' using 1:($4-$2) w l ls 4 notitle, \ '< paste pes_fci.dat pes_pccd.dat' using 1:($4-$2) w l ls 6 notitle, \ '< paste pes_fci.dat pes_fci.dat' using 1:($4-$2) w l ls 2 notitle pause -1