fix python script generated by kslice

[qiaojunfeng]

Hi, when I run examples17 in the tutorial, I came up with a python error:

Traceback (most recent call last):
  File "Fe-kslice-fermi_lines.py", line 36, in <module>
    bbands=bands.reshape((dimy,dimx,numbands))
TypeError: 'float' object cannot be interpreted as an integer

The python script was generated by kslice calculation of postw90.x.
I'm using Anaconda 4.3.30 on openSUSE Tumbleweed.

I found simply add an int() conversion could fix the bug.
Thanks for the wannier90, it's wonderful!

[greschd]

Hi @qiaojunfeng,

This issue is due to division changing from integer division to "true" division from Python 2 to 3. While casting the result to int also works, the correct way of doing this would be to use the integer division operator //. For Python 2 compatibility, you need to add from __future__ import division to the top of the file.

So it would be

from __future__ import division

...

num_bands = bands_up.size // num_pt

EDIT: The future import is not needed to make integer division work in Python 2, only if you want the "regular" division to work the same in Py2 / 3.

[qiaojunfeng]

Hi @greschd ,

You are right, it's better to use floor division // than int casting. I have changed it to //. Forgive my dirty hack.

Moreover, I found another two minor bugs,

1. in example18/Fe.win line 37, kslice_kmesh should be kslice_2dkmesh
2. in Tutorial.pdf of example18, page 33, gnuplot> plot ‘Fe-kubo-A_xy.dat’ u 1:2 w l should be gnuplot> plot ‘Fe-kubo_A_xy.dat’ u 1:2 w l, the filename should be kubo_A instead of kubo-A

[jryates]

All looks good to me

[jryates]

Thanks for fixing this!