[Wien] The results of the 2Doptimize package

[Nacir GUECHI]

Hi.use the order fit, that done results close to experimental data.
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Nacir GUECHI
Dr. Physique de la matière solide.Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa,  Algeria (www.univ-media.dz).Laboratoire d'études des surfaces et interfaces des matériaux solides (L.E.S.I.M.S), université Sétif1 (Algeria)http://laboratoires.univ-setif.dz/L.E.S.I.M.S/ 

   

 Le Samedi 7 janvier 2017 16h05, Abderrahmane Reggad <jazairdz at gmail.com> a écrit :
 

 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

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

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

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

############################## #######

Best regards

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



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