32 lines
1.5 KiB
Gnuplot
32 lines
1.5 KiB
Gnuplot
set xrange [1.5:2.4]
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set yrange [:-0.495]
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#set yrange [-0.38:-0.2]
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set key top center
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set format y "%.2f"
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set format x "%.1f"
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set grid
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set style textbox opaque noborder
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set style line 12 lc rgb '#dddddd' lt 1 lw 0.5
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set grid xtics mxtics ytics mytics back ls 12, ls 12
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#set label 1 at screen 0.01, 0.03 front "b) H_{10}, cc-pVDZ"
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set xlabel "Internuclear distance (bohr)"
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set ylabel "Atomization energy (hartree)"
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plot 'data_DFT_vdzE_relat' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 1 title "MRCI+Q"
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replot 'data_DFT_vdzE_relat' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 1 title "(MRCI+Q)+PBE-UEG"
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replot 'data_DFT_vdzE_relat' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 1 title "(MRCI+Q)+PBE-OT"
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replot 'data_DFT_vdzE_relat' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1 title "(MRCI+Q)+SU-PBE-OT"
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replot 'data_DFT_vdzE_relat' using 1:6 smooth cspline notitle lt 7 , "" using 1:6 w p lt 7 ps 1 title "Exact"
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replot 'data_DFT_vdzE_relat' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 1 notitle
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replot 'data_DFT_vdzE_relat' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 1 notitle
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replot 'data_DFT_vdzE_relat' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 1 notitle
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replot 'data_DFT_vdzE_relat' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1 notitle
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set terminal pdf enhanced font "Times,16" solid dashlength 1.0 linewidth 2. rounded size 4.0in, 3.0in
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set output "DFT_vdzE_relat_zoom.pdf"
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replot
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