[Wien] A intherface to ATAT

[Laurence Marks]

Electronic entropy is just the Fermi-Dirac term (TEMPS), so you don't
need anything to calculate this (by itself).

I don't think that there is a interface to ATAT for the vibrational
terms (and the coupled terms), although this would not be hard to do.
I would check with Axel (the author) and google to see if there is
one. This would be useful, and I've thought about creating one several
times but never done it.

2009/8/9 wien2k_ocm <wien2k_ocm at 163.com>:
>
> Hi,:
>    I am a user of your WIEN2K Code,I write to you to ask whether there is
> an
> interface with  WIEN2k code to Alloy Theoretic Automated Toolkit (ATAT)
> Code,the
> ATAT code told me that WIEN2K had writen a interface batween ATAT and
> WIEN2K, my
> main object is to calculate the vibration and electornic entropy .if there
> is not
> an interface ,how can I use the output of WIEN2K to calculate these ?
>    Thank you ,I wish you advice.
>
> Chumaoyou
> Beijing General Reserch Institute For Nonferror Metals
>
>
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering to study the structure of matter.