[ase-users] equation of state utility

[Jens Jørgen Mortensen]

On Thu, 2008-09-25 at 21:30 -0700, pgmoses wrote:
> Hi Jens Jorgen
> 
> I have a brief question on the eos utility. Is this a specific eos or just
> a third order polynomial?

It's a third order polynomial in 1/a, where a is the lattice constant -
see here:

 https://wiki.fysik.dtu.dk/ase/ase/utils.html#equation-of-state

> Another question is on the on going work on vasp.py, will it be commited to
> svn any time soon,

I'll try to check in Jonas Björks latest version today.

>  since then I could go on and do some test and contribute
> myself.

That would be great!

> Best regards,
> 
> Poul Georg
> 
> 
> Poul Georg Moses
> 
> Ph.d, Postdoc
> Materials Department
> University of California
> Santa Barbara, CA 93106-5050
> 
> Phone: (805) 893-6158
> Fax:   (805) 893-8486
> Cell:  (805) 680-4639 
> e-mail: pgmoses at engr.ucsb.edu
> 
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users