Fwd: Re: [ase-users] equation of state utility

[Georg Madsen]

In principle it is just a 3rd degree polynomial. One can argue for the specific
form and that it should be a third degree polynomial
Alchagirov: PRB 63, 224115

  Best wishes
   Georg

Quoting pgmoses <pgmoses at engineering.ucsb.edu>:

> Hi Jens Jorgen
> 
> I have a brief question on the eos utility. Is this a specific eos or just
> a third order polynomial?
> 
> Another question is on the on going work on vasp.py, will it be commited to
> svn any time soon, since then I could go on and do some test and contribute
> myself.
> 
> 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
> 
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