19 lines
904 B
Gnuplot
19 lines
904 B
Gnuplot
set xrange [1.3:1.6]
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set yrange [-0.065:-0.01]
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set key left
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set xlabel "Inter atomic distance (a.u.) "
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set ylabel "Energy (Hartree)"
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set key font ",15"
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set key spacing "1,8"
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plot 'data_DFT_vtzE_relat' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 0.5 title "FCI/vtz"
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replot 'data_DFT_vtzE_relat' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 0.5 title "FCI+PBE-UEG~{/Symbol z}{.8-}/vtz"
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replot 'data_DFT_vtzE_relat' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 0.5 title "FCI+PBEot~{/Symbol z}{.8-}/vtz"
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replot 'data_DFT_vtzE_relat' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 0.5 title "FCI+PBEot0{/Symbol z}/vtz"
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replot 'data_DFT_vtzE_relat' using 1:6 smooth cspline notitle lt 7 , "" using 1:6 w p lt 7 ps 0.5 title "Exact"
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set terminal eps enhanced linewidth 6
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set output "DFT_vtzE_relat_zoom.eps"
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replot
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