Are you using a block like this?
BandLinesScale pi/a
%block BandLines # These are comments
1 0.000 0.000 0.000 \Gamma # Begin at Gamma
50 2.000 0.000 0.000 X # 25 points from Gamma to X
20 2.000 1.000 0.000 W # 10 points from X to W
30 1.000 1.000 1
Just a very naive question... Did you specify the lines along which the
bands should be plotted? (block BandLines, in the manual). I don't
think there are default values for these. (maybe an idea for developers,
at least for cubic-like systems... :-))
Cheers,
Miguel
Oleksandr Voznyy wrote:
Pryvit, Oleksandr!
Have you indicated the coordinates of k-points
in your input file, using BandlinesScale (e.g.
ReciprocalLatticeVectors) and %block BandLInes?
Sincerely,
Ivetta
Hi,
could anyone suggest why SIESTA is not creating .bands file if I write
in .fdf
WriteBands T
WriteKBands T
I've checked in out.fdf that the value of WriteBands was really set to true.
Sincerely,
Alexander Vozny
University of Sherbrooke, Canada
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