22 lines
688 B
Gnuplot
22 lines
688 B
Gnuplot
set xrange [:5]
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set yrange [-0.25:0]
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set format y "%.2f"
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set format x "%.1f"
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set xlabel "Interatomic distance (a.u.) "
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set ylabel "Energy (a.u.)"
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set grid
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set key bottom
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plot 'data_DFT_avdzE_relat' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 1 title "FCI/avdz"
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replot 'data_DFT_avdzE_relat' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1 title "FCI+PBEot0{/Symbol z}/avdz"
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replot 'data_DFT_avdzE_relat' using 1:6 smooth cspline notitle lt 7 , "" using 1:6 w p lt 7 ps 1 title "Exact"
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set terminal pdfcairo font "Times,14" solid dashlength 1.0 linewidth 2. rounded size 4.0in, 3.0in
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set output "DFT_avdzE_relat.pdf"
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replot
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quit
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