srDFT_SC/new/F2_avtz/plots/plot_relat.gp

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2020-01-27 00:27:20 +01:00
set xrange [2.5:3.5]
set key left
set xlabel "Inter nuclear distance (a.u.) "
set ylabel "Energy (Hartree)"
set key font ",15"
set key spacing "1,8"
plot 'E_relat_dft' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 1 title "FCI/avtz"
replot 'E_relat_dft' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 1 title "FCI+PBE-UEG/avtz"
replot 'E_relat_dft' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 1 title "FCI+PBE-OT/avtz"
replot 'E_relat_dft' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1 title "FCI+SU-PBE-OT/avtz"
replot 'E_relat_exact' using 1:2 smooth cspline notitle lt 7 , "" using 1:2 w p lt 7 ps 1 title "Exact"
set terminal pdf enhanced linewidth 4
set output "DFT_avtzE_relat_zoom.pdf"
replot