Dear All,
I was jut doing some practice (graphene) to extract E(kx,ky) data from my
band structure calculations. And Finally want to plot E(kx,ky). But I faced
the following problem when I run the bands.x code
Error in routine punch_band_2d (1):
Problems with k points
Then I look into the subroutine (punch_band_2d)in bands.f90 in /PP folder.
and line 488 is
IF (n1*n2 /= nks_eff) CALL errore('punch_band_2d',&
'Problems with k points',1)
In my case nks_eff is 230; and the n1*n2 was not giving me 230, and the
calculations stop.
n2 is defined as n2=j-1 in line 482
When I changed n2=j then I was able to get n1xn2=230 and run the bands.x
code and got different
bands.dat.1, bands.dat.2........... files.
Is it a big, or I am making a mistake in correcting the issue.
Can some one comment that how to solve the "Error in routine
punch_band_2d(1):Problems with k points" problem, if I am wrong.
How to deal with these bands.dat.1, bands.dat.2........ files
Thanks,
Gul
--
Dr. Gul Rahman
Tenured Associate Professor,
Department of Physics,
Quaid-i-Azam University,
Islamabad, Pakistan
http://www.qau.edu.pk/profile.php?id=818020
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