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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