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 DEFLA Tel: +213(0)561861963 Algerie
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