srDFT_SC/new/F2_avtz/plots/pouet.gp

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2019-10-01 19:13:31 +02:00
set xrange [:7]
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set xlabel "Inter atomic distance (a.u.) "
set ylabel "Energy (Hartree)"
set key font ",15"
set key spacing "1,8"
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plot 'data_DFT_avtzE_error' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 1 title "FCI/avtz"
replot 'data_DFT_avtzE_error' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1 title "FCI+PBEot{/Symbol z}/avtz"
replot 'data_DFT_avtzE_error' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 1 title "FCI+PBEot/avtz"
replot 'data_DFT_avtzE_error' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 1 title "FCI+PBE/avtz"
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set terminal eps enhanced linewidth 6
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set output "DFT_avtzE_error.eps"
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replot