Hi graeme,
That's what I thought, but IIUC, NumDOS counts the number of DOS*-files, incuding DOS0 and is thus 1+ the number of atoms.
In line 80, the number of atoms is set as
$NumPlot = $NumDOS-1
and in my example, I have 4 atoms, but NumDOS is 5.
So could this be a (minor) bug?
Search found 2 matches
- Tue Oct 15, 2019 6:08 am
- Forum: VTSTTools
- Topic: Variable $NumDOS in doslplot.pl
- Replies: 3
- Views: 12412
- Mon Oct 14, 2019 10:28 am
- Forum: VTSTTools
- Topic: Variable $NumDOS in doslplot.pl
- Replies: 3
- Views: 12412
Variable $NumDOS in doslplot.pl
Dear all, I'm quite new to these tools and am confused by the gnuplot script created by doslplot.pl: I have a system with 4 atoms; when I plot a single atom with doslplot.pl d 1, the gnuplot-file contains a line "DOS1" u 1:(($10-$11+$12-$13+$14-$15+$16-$17+$18-$19)*5) I understand (I hope)...