QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ugglebot on January 12, 2009, 11:58

Title: Problem with Monkhorst-Pack example
Post by: ugglebot on January 12, 2009, 11:58

I tried to use the script MonkhorstPack-example.py in the "examples" directory in ATK 2008.10, but it just comes out with an error:

Traceback (most recent call last):
  File "MonkhorstPack-example.py", line 3, in ?
    from MonkhorstPack import *
SyntaxError: invalid syntax (MonkhorstPack.py, line 82)

I don't really see any problem on line 82, however...

Edit: corrected script file name

Title: Re: Problem with Monkhorst-Pack example
Post by: ipsecog on January 12, 2009, 12:05

It works fine for me...

But I noticed that line 82 is "broken", perhaps you can just merge lines 82 and 83, so instead of

Code

if (time_reversal_symmetry) & \
        (ua[i]==0) & (ub[j]==0) & (uc[k]==0):
    return K,W

use

Code

if (time_reversal_symmetry) & (ua[i]==0) & (ub[j]==0) & (uc[k]==0):
    return K,W