[Wien] Minimization before Volume Optimization ?

[Abderrahmane Reggad]

Thank your Gerhard and Dobysheva for your answers


* Do you think the ground state is the state with arbitrarily choosen positions
of the atoms ?

- No,of course bur I want to be sure

* When you make a calculation you take _a_model_ instead of an actual
sample. The choice of the model usually takes 80 % of the whole time
for solving the problem: which phenomena may be neglected, and which
should be necessarily taken into account.So, to answer your question
means to make the work.

- I am looking for this model or I will construct one throw your answers

Best regards


-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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