set xrange [:3.6] set xlabel "Internuclear distance (bohr)" set ylabel "Atomization energy (hartree)" set format y "%.2f" set format x "%.1f" set grid set title "H_{10}, cc-pVDZ" plot 'data_DFT_vdzE_error' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 title "FCI" replot 'data_DFT_vdzE_error' using 1:3 smooth cspline notitle lt 8 , "" using 1:3 w p lt 8 title "FCI+PBE" replot 'data_DFT_vdzE_error' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 title "FCI+PBEot" set terminal pdf enhanced font "Times" solid dashlength 1.0 linewidth 2. rounded size 4.0in, 3.0in set output "DFT_vdzE_error.pdf" replot