26 lines
2.5 KiB
Gnuplot
26 lines
2.5 KiB
Gnuplot
#plot "data_N2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.7797414 w l lw 3 title "2*N CAS", "" u 1:($2+$3) w l lw 3 title "CAS+LDA", -108.91410101 w l lw 3 title "2*(CAS N + LDA)", "data_N2_avdz_cas66" u 1:3 w l lw 3 title "FCI", -108.9739012 w l lw 3 title "2*N FCI", "" u 1:($3+$6) w l lw 3 title "FCI+LDA", -109.02698261 w l lw 3 title "2*(FCI N + LDA)"
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plot "data_N2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", "" u 1:($2+$3) w l lw 3 title "CAS+LDA", "data_N2_avdz_cas66" u 1:3 w l lw 3 title "FCI", "" u 1:($3+$6) w l lw 3 title "FCI+LDA"
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set term eps
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set output "N2_DZ_LDA_tot.eps"
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replot
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#plot "data_N2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.7797414 w l lw 3 title "2*N CAS", "" u 1:($2+$4) w l lw 3 title "CAS+PBE", -108.92104742 w l lw 3 title "2*(CAS N + PBE)", "data_N2_avdz_cas66" u 1:3 w l lw 3 title "FCI", -108.9739012 w l lw 3 title "2*N FCI", "" u 1:($3+$7) w l lw 3 title "FCI+PBE", -109.02004929 w l lw 3 title "2*(FCI N + PBE)"
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plot "data_N2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", "" u 1:($2+$4) w l lw 3 title "CAS+PBE", "data_N2_avdz_cas66" u 1:3 w l lw 3 title "FCI", "" u 1:($3+$7) w l lw 3 title "FCI+PBE"
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set term eps
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set output "N2_DZ_PBE_tot.eps"
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replot
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#plot "data_N2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.7797414 w l lw 3 title "2*N CAS", "" u 1:($2+$5) w l lw 3 title "CAS+PBE on top", -108.90744369 w l lw 3 title "2*(CAS N + PBE on top)", "data_N2_avdz_cas66" u 1:3 w l lw 3 title "FCI", -108.9739012 w l lw 3 title "2*N FCI", "" u 1:($3+$8) w l lw 3 title "FCI+PBE on top", -109.02337969 w l lw 3 title "2*(FCI N + PBE on top)"
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plot "data_N2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", "" u 1:($2+$5) w l lw 3 title "CAS+PBE on top", "data_N2_avdz_cas66" u 1:3 w l lw 3 title "FCI", "" u 1:($3+$8) w l lw 3 title "FCI+PBE on top"
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set term eps
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set output "N2_DZ_PBE_on_top_tot.eps"
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replot
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#plot "data_N2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", -108.7797414 w l lw 3 title "2*N CAS", "" u 1:($2+$6) w l lw 3 title "CAS+PBE on top", -108.89009886 w l lw 3 title "2*(CAS N + PBE on top)", "data_N2_avdz_cas66" u 1:3 w l lw 3 title "FCI", -108.9739012 w l lw 3 title "2*N FCI", "" u 1:($3+$9) w l lw 3 title "FCI+PBE on top", -109.02120186 w l lw 3 title "2*(FCI N + PBE on top)"
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plot "data_N2_avdz_cas66_truncated" u 1:2 w l lw 3 title "CAS", "" u 1:($2+$6) w l lw 3 title "CAS+PBE on top", "data_N2_avdz_cas66" u 1:3 w l lw 3 title "FCI", "" u 1:($3+$9) w l lw 3 title "FCI+PBE on top"
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set term eps
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set output "N2_DZ_PBE_on_top_den_tot.eps"
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replot
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