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[Igor Lukacevic <ilukacevic@fizika.unios.hr>]

Thank you all for your replies! I'll try your proposals. You've been more 
than 
helpful.

Cheers!

Igor Lukacevic

On Wednesday 23 September 2009 17:44, Scott Beckman wrote:
> You can fit the Birch-Murnaghan equation of state using steepest
> decent (and LOTS of patience) or the conjugate gradient method.  (I
> also did this in Mathematica.)
>
> Alternatively you can download Quantum-Espresso and use the ev.f90
> fitting program that is in the pwtools subdirectory.
>
> It's more fun to write your own software, but if you don't have time
> it is best to search all of the major DFT/LDA software developers
> since it has probably been implements in at least one of them.
>
> On Sep 23, 2009, at 10:11 AM, Igor Lukacevic wrote:
> > Dear all,
> >
> > 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.
> >
> > Thank you in advance!
> >
> > Igor Lukacevic
> > --
> > Igor Lukacevic
> > Department of Physics
> > University of J. J. Strossmayer
> > Trg Ljudevita Gaja 6
> > 31000 Osijek
> > Croatia

-- 
Igor Lukacevic
Department of Physics
University of J. J. Strossmayer
Trg Ljudevita Gaja 6
31000 Osijek
Croatia