[ase-users] atomic numbers outside the physical range

[Noam Bernstein]

> On Mar 1, 2017, at 4:05 AM, Jens Jørgen Mortensen <jensj at fysik.dtu.dk> wrote:
>> 
> 
> Good question - I don't know.  Can xyz files have atomic numbers instead of symbols?  What file formats do you use for your calculations with Z=300 at the moment?
> 

I use extxyz, which can.  Is the use of a the short symbol of a real element for the species in xyz anything other than a convention anyway?

										Noam



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Noam Bernstein, Ph.D.
Center for Materials Physics and Technology
U.S. Naval Research Laboratory
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