[ase-users] VASP calculator fix for python3.4

[Eric Hermes]

Hello,

These fixes already exist in the ASE gitlab repository, so they should
be present in the next release of ASE.

Eric

On Thu, 2017-05-18 at 13:44 +0300, Евгений Васильевич Тихонов via ase-
users wrote:
> Dear ase developers,
> Current VASP code does not work, because some things were changed in
> python3.
> 
> File "/usr/lib64/python3.4/site-packages/ase/calculators/vasp.py",
> line 692
> 
>         if self.int_params['ibrion'] > -1
> 
> This is supposed to give False if self.int_params['ibrion'] is None,
> but will crash with TypeError because in python3 you can no longer
> compare None and int.
> 
> You need to add default value -1 for 'ibrion' if nsw = 0 or -1, or 0
> otherwise.
> 
> In line 1192
>         potfile = open('POTCAR' + suffix, 'wb')
> 
> This will crash in python3 as well, need to change fie open mode to
> 'w'
> 
> 
> Please review the fix attached.
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