mirror of https://gitlab.com/QEF/q-e.git
32 lines
912 B
Gnuplot
32 lines
912 B
Gnuplot
#!/usr/bin/gnuplot
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#
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set term post color solid enh
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set out 'project_chainH2_onto_H2.ps'
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set xlabel "Energy (eV)"
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set ylabel "DOS (states/eV)"
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ef=1.1303
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set xra [-15:5]
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set yzeroaxis
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set style data lines
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set origin 0,0
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set size 1,1
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set multiplot
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set origin 0,1./2
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set size 0.5,1./2
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plot 'chainH2_onto_H2.mopdos_tot' u ($1-ef):2 lc 3 t "total H_2-projected DOS"
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set origin 0,0./2
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set size 0.5,1./2
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plot "<awk '($1==1)' chainH2_onto_H2.mopdos" u ($2-ef):3 t "bonding H_2 orbital", "<awk '($1==2)' chainH2_onto_H2.mopdos" u ($2-ef):3 t "anti-bonding H_2 orbital"
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set origin 0.5,0
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set size 0.5,1
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#set ytics 0.5
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set ylabel "k_z (crystal)"
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scaledos=20
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set key title "K-resolved"
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plot "<awk '($2==1)' chainH2_onto_H2.k.mopdos" u ($3-ef):(($1-1)/20*0.5+$4/scaledos) t "bonding H_2 orbital", "<awk '($2==2)' chainH2_onto_H2.k.mopdos" u ($3-ef):(($1-1)/20*0.5+$4/scaledos) t "anti-bonding H_2 orbital"
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unset multiplot
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