[ase-users] increasing the precision of lattice vectors

[Jens Jørgen Mortensen]

On 08/14/2016 10:30 AM, Dahvyd Wing via ase-users wrote:
> Hi,
>
> I am using the spacegroup module to generate geometries for my input 
> files. I'm using Paratec, which in my particular calculation requires 
> a very high (~1e-12) precision in the lattice vectors and atomic 
> coordinates. How can I increase the precision of the automatically 
> generated vectors in ASE?

Good question.  We would have to track down where the inaccuracies come 
from.  Can you show us a small script that produces something with too 
little precision?

Jens Jørgen

>
> Thanks,
> Dahvyd
>
>
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