[gpaw-users] Tutorial of Band calculation craches with TypeError

[Jens Jørgen Mortensen]

On 02/02/2017 02:56 PM, Евгений Васильевич Тихонов via gpaw-users wrote:
> Hello, dear GPAW users and developers,
>
> I'm trying to do Band calculation tutorial, but when I run
> https://wiki.fysik.dtu.dk/gpaw/_downloads/bandstructure.py
>
> I get the error:

Sometimes the tutorials on the web-page and the stable version of GPAW 
are out of sync.  That should hopefully be fixed now.  Please try the 
new and updated band-structure tutorial using the recently released 
GPAW-1.2 and ASE-3.13.

Jens Jørgen

>
>   ___ ___ ___ _ _ _
>  |   |   |_  | | | |
>  | | | | | . | | | |
>  |__ |  _|___|_____|  1.1.0
>  |___|_|
>
> User:   lucius at lucius-e5470
> Date:   Thu Feb  2 16:53:37 2017
> Arch:   x86_64
> Pid:    19555
> Python: 2.7.12
> gpaw:   /home/lucius/.local/lib64/python2.7/site-packages/gpaw
> _gpaw: /home/lucius/.local/lib64/python2.7/site-packages/_gpaw.so
> ase:    /home/lucius/.local/lib64/python2.7/site-packages/ase (version 
> 3.12.0)
> numpy: /home/lucius/.local/lib64/python2.7/site-packages/numpy 
> (version 1.10.4)
> scipy: /home/lucius/.local/lib64/python2.7/site-packages/scipy 
> (version 0.18.1)
> units:  Angstrom and eV
> cores:  1
> Traceback (most recent call last):
>   File "bandstructure.py", line 29, in <module>
>     convergence={'bands': 8})
>   File 
> "/home/lucius/.local/lib64/python2.7/site-packages/gpaw/paw.py", line 
> 141, in __init__
>     self.initialize()
>   File 
> "/home/lucius/.local/lib64/python2.7/site-packages/gpaw/paw.py", line 
> 465, in initialize
>     bzkpts_kc = kpts2ndarray(par.kpts, self.atoms)
>   File 
> "/home/lucius/.local/lib64/python2.7/site-packages/gpaw/paw.py", line 
> 1121, in kpts2ndarray
>     size, offsets = kpts2sizeandoffsets(atoms=atoms, **kpts)
> TypeError: kpts2sizeandoffsets() got an unexpected keyword argument 
> 'npoints'
>
>
> I see in paw.py that function
> def kpts2sizeandoffsets(size=None, density=None, gamma=None, even=None,
>                         atoms=None):
> doesn't have npoints parameter.
>
> Could you please help with that?
>
>
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