Dear Amar,
you have to increase the maxb variable in gnubands.f and recompile
best,
Roberto
On 02 March 2013, "Dr. Amar Bahadur" wrote:
> Dear Siesta users,
>I run the attached agnr.fdf file for 26 atoms in
> SIESTA. I converted the obtained *AGNR.bands* file into
Dear Amar,
You have to re-compile the gnuband tool in order to increase the number of
bands.
Look for the line (at the beginning of the file) containing:
parameter (maxk=1000, maxb=1000, maxs=2)
and change it to something like this:
parameter (maxk=5000, maxb=5000,
Dear Sir,
I run the attached agnr.fdf file for 26 atoms in SIESTA. I
converted the obtained *AGNR.bands* file into *AGNR.dat* file by using
command [*./gnuband AGNR.dat*], to plot energy band structure
in* GNUPLOT*, I got an error message as: *STOP Dimensions in gnubands too
small*.
