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[Alberto Otero de la Roza <alberto@carbono.quimica.uniovi.es>]

Dear Igor,

> please, share with me your experience in fitting E(V) curves with 
> Birch-Murnaghan equation of state. Which sofware do you usually use? I 
> tried 
> with Mathematica, but I fail to reproduce the B_0 correctly (other 3 
> factors 
> are ok).
> Anything is wellcome.

You can try the GIBBS program, developed in our group. The article
describing the code is:

M.A. Blanco, E. Francisco, V. Luaña, Comput. Phys. Commun. 158 (2004)
  57--72.

The program is available from the CPC library or from us upon
request. 

GIBBS can fit a number of EOS to static E(V) data, but also use a 
quasiharmonic Debye approximation to obtain the thermodynamic
properties of the crystal.

Best regards,

Alberto 

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Alberto Otero de la Roza
PhD Student
Departamento de Química Física y Analítica.
Universidad de Oviedo, 33006 Oviedo, Spain.
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