srDFT_SC/new/H10_vtz/plots/pouet.gp
2019-11-23 16:38:36 +01:00

14 lines
522 B
Gnuplot

set xlabel "Inter atomic distance (a.u.) "
set ylabel "Energy (Hartree)"
set key font ",15"
set key spacing "1,8"
plot 'data_DFT_vtzE_error' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 title "FCI/vtz"
replot 'data_DFT_vtzE_error' using 1:3 smooth cspline notitle lt 8 , "" using 1:3 w p lt 8 title "FCI+PBE/vtz"
replot 'data_DFT_vtzE_error' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 title "FCI+PBEot/vtz"
set terminal eps linewidth 6
set output "DFT_vtzE_error.eps"
replot