30 lines
1.8 KiB
Gnuplot
30 lines
1.8 KiB
Gnuplot
plot "data_N2_avtz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.79521904536888 w l lw 3 title "2*N CAS", "" u 1:($2+$3) w l lw 3 title "CAS+LDA", -108.92959598016888 w l lw 3 title "2*(CAS N + LDA)", 'exact-N2' u ($1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline"
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set term eps
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set output "N2_tz_LDA_truncated.eps"
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replot
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plot "data_N2_avtz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.79521904536888 w l lw 3 title "2*N CAS", "" u 1:($2+$4) w l lw 3 title "CAS+PBE", -108.93664255376888 w l lw 3 title "2*(CAS N + PBE)", 'exact-N2' u ($1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline"
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set term eps
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set output "N2_tz_PBE_truncated.eps"
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replot
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plot "data_N2_avtz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.79521904536888 w l lw 3 title "2*N CAS", "" u 1:($2+$5) w l lw 3 title "CAS+PBE on top", -108.92304394976888 w l lw 3 title "2*(CAS N + PBE on top)", 'exact-N2' u ($1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline"
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set term eps
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set output "N2_tz_PBE_on_top_truncated.eps"
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replot
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plot "data_N2_avtz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.79521904536888 w l lw 3 title "2*N CAS", "" u 1:($2+$6) w l lw 3 title "CAS+PBE on top", -108.90563120596889 w l lw 3 title "2*(CAS N + PBE on top)", 'exact-N2' u ($1 * 0.529177):2 w l lw 3 smooth csplines title "Exact spline"
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set term eps
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set output "N2_tz_PBE_on_top_den_truncated.eps"
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replot
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set yrange [:0.1]
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plot "data_N2_avtz_cas66_truncated" u 1:($2 - -108.79521904536888) w l lw 3 title "CAS", "" u 1:($2+$6 --108.90563120596889 ) w l lw 3 title "CAS+PBE on top / density" , 'exact-N2' u ($1 * 0.529177):($2 - -109.1698) w l lw 3 smooth csplines title "Exact spline", 'exact-N2' u ($1 * 0.529177):($2 - -109.1698) w p ps 0.5 notitle
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set term eps
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set output "N2_tz_PBE_on_top_den_vs_exact_truncated.eps"
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replot
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