[ase-users] Problem Using Atoms module

Glen Jenness glenjenness at gmail.com
Thu Jan 21 19:58:09 CET 2016


Abhirup,
Can we see the full code?  Or at least a minimum working example?

Glen

On Thu, Jan 21, 2016 at 12:22 PM, Abhirup Patra <abhirup.patra at hotmail.com>
wrote:

> Hi All,
>
> I am trying to get the inter layer distance between the layers of the
> surface slab from using the
> CONTCATR of the VASP .
>
> But when I am trying to read the z-coordinates of the atoms using
> 'positions' attribute
> I am getting the error as -
>
> AttributeError: 'file' object has no attribute 'positions'
>
> Here is what i have imported in my code-
>
> import ase.io
> from ase import Atoms
> from ase.io import read
> from ase.io import write
> from ase import *
> import numpy as np
>
> Can anyone please give me any idea where I am going wrong ?
>
> Thanks,
>
>
>
>
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>



-- 
Dr. Glen Jenness
Catalysis Center for Energy Innovation (CCEI)
University of Delaware
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