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band_structure [2009/11/25 22:44] jelen |
band_structure [2014/02/09 11:24] dani |
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multiplot> plot "ek.dat" using 1:7 with lines | multiplot> plot "ek.dat" using 1:7 with lines | ||
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- | {{:si-bulk:si-bulk.png|Si-bulk Band Structure}} | + | {{:si-bulk:si-bulk.png?400|Si-bulk Band Structure}} |
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After finishing a run, we obtain **''dens_001.dat''**,**''dens_002.dat''** including projected DOS on two Si atoms in the unit cell (including projected DOS onto individual shells of atoms). Additionally, there is a file **''dens_TOT.dat''** containing DOS. Here, a first column means energy and a second one DOS. | After finishing a run, we obtain **''dens_001.dat''**,**''dens_002.dat''** including projected DOS on two Si atoms in the unit cell (including projected DOS onto individual shells of atoms). Additionally, there is a file **''dens_TOT.dat''** containing DOS. Here, a first column means energy and a second one DOS. | ||
- | + | mac135> gnuplot | |
+ | gnuplot> set xrange [0:1] | ||
+ | gnuplot> set yrange [-17:0] | ||
+ | gnuplot> set xlabel "DOS [arb. units]" | ||
+ | gnuplot> set ylabel "Energy [eV]" | ||
+ | gnuplot> plot "dens_TOT.dat" using 2:1 title 'Total DOS' with lines, \ | ||
+ | "dens_001.dat" using 11:1 title 'PDOS Si atom ' with lines | ||
+ | |||
+ | {{:si-bulk:pdos-si_bulk.png?400|DOS Si Bulk}} | ||
+ | |||
+ |