[Wien] The results of the 2Doptimize package

[Abderrahmane Reggad]

I have found in which file I get the optimal values of the lattice
parameters but the question is now what's the best fit order to use.

There are big differences between the result of different fit orders

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Order of fit 3
a0= 6.60816 , c0= 10.1455 bohr
a0= 3.4968 , c0= 5.3687 Ang

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Order of fit 4
a0= 6.65753 , c0= 9.99561 bohr
a0= 3.5230 , c0= 5.2894 Ang

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Order of fit 5
a0= 5.94287 , c0= 12.5442 bohr
a0= 3.1448 , c0= 6.6381 Ang

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Best regards

-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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