Gnuplot scripts
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Hexagonal-BN tutorial
hf.gnu
set key c set grid y set grid x set xtics nomirror set x2tics set xlabel 'Cutoff Energy Ry" set x2label 'Number of RL Vectors in Exchange' p "hf.dat" u 1:($4-$3) w lp lw 2 lt -1 t "HF gap", "" using 1:($4-$3):x2tic(2) lt 7 t ""
ppa_gap.gnu
reset set key c set grid y set grid x set xtics nomirror set x2tics set autoscale xfix set autoscale x2fix set x2label "Cutoff Energy of eps block Ry" set ylabel "Gap Energy eV" set xlabel "Size of the dielectric matrix" p "10b.dat" u 1:($4-$3) w lp lw 2 lt -1 t "BndsRnXp=10","" using 1:($4-$3):x2tic(2) axes x2y1 lt 7 t "" ,\ "20b.dat" u 1:($4-$3) w lp lw 2 lt 1 t "BndsRnXp=20","" using 1:($4-$3):x2tic(2) axes x2y1 lt 7 t "" ,\ "30b.dat" u 1:($4-$3) w lp lw 2 lt 2 t "BndsRnXp=30","" using 1:($4-$3):x2tic(2) axes x2y1 lt 7 t "" ,\ "40b.dat" u 1:($4-$3) w lp lw 2 lt 3 t "BndsRnXp=40","" using 1:($4-$3):x2tic(2) axes x2y1 lt 7 t ""
bands.gnu
set xtics ("K" 0, "Gamma" 30, "M" 56, "K" 71, "H" 80, "A" 110, "L" 136)
p "o.bands_interpolated" u 0:2 w l lt -1 t "LDA",\
"o.bands_interpolated" u 0:3 w l lt -1 t "",\
"o.bands_interpolated" u 0:4 w l lt -1 t "",\
"o.bands_interpolated" u 0:5 w l lt -1 t "",\
"o.bands_interpolated" u 0:6 w l lt -1 t "",\
"o.bands_interpolated" u 0:7 w l lt -1 t "" ,\
"o.bands_interpolated_01" u 0:2 w l lt 7 t "GW",\
"o.bands_interpolated_01" u 0:3 w l lt 7 t "",\
"o.bands_interpolated_01" u 0:4 w l lt 7 t "",\
"o.bands_interpolated_01" u 0:5 w l lt 7 t "",\
"o.bands_interpolated_01" u 0:6 w l lt 7 t "",\
"o.bands_interpolated_01" u 0:7 w l lt 7 t ""
Silicon Tutorial
hf_vs_cutoff.gnuplot (Gnuplot script to plot the HF corrections)
set xrange [-2:8] set yrange [-5:10] set xlabel "Eo [eV]" set ylabel "E_hf-Eo [eV]" p 'References/o-HF_3Ry.hf' u 3:($4-$3) w p t "3Ry" rep 'References/o-HF_6Ry.hf' u 3:($4-$3) w p t "6Ry" rep 'References/o-HF_7Ry.hf' u 3:($4-$3) w p t "7Ry" rep 'References/o-HF_15Ry.hf' u 3:($4-$3) w p t "15Ry"