[ase-users] Quasi-Harmonic Approximation

[Carsten Rostgaard]

If this is something you use, and you have written a module that 
integrates with ase and supplies this functionality: please feel free to 
post it on the mailing list for review.

Best regards,
Carsten

Nguyen Ngoc Ha wrote:
> Dear Developers and ASE Users,
> I think it's very useful for ASE Users if a QHA code is implemented. 
> In principle, it's not difficult at least for isolated systems using 
> the normal modes from the present ASE.
>  
> Best Regards,
>
> Nguyen, Ngoc Ha
> Hanoi National University of Education
> Faculty of Chemistry
> Department of Physical Chemistry
> Tel: Office: 04/8330842
> Home: 04/7891674
> Mobile: 0989133436
>
>
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-- 
Carsten Rostgaard
Ph.D. Student, M.Sc.Eng (Applied Physics)
CAMD, Department of Physics, Technical University of Denmark
Room 221, Building 307, DTU, DK-2800 Kongens Lyngby, Denmark
E-mail: Carsten.Rostgaard at fysik.dtu.dk - Phone: +45 4525 3185