Do you mean the ultimate material strength when you refer to "breaking point”?

Straightforward calculations (like this one 
http://arxiv.org/pdf/1303.7259v1.pdf) are possible, but the obtained result 
will be orders (!) of magnitude higher than any practical values. The reason is 
that it is hard to capture mechanisms of materials plasticity at such a small 
scale.

Oleg

> On Nov 26, 2015, at 02:35, Muhammad Sajjad <sajja...@gmail.com> wrote:
> 
> Dear All
> Can we use WIEN2K fto know about breaking point of material?  I know to 
> calculate phonon spectrum  (using phonopy) for the stability of material but 
> not breaking. Also some information from elastic constant (like C11 = Young 
> Mod.). 
> 
> -- 
> Kind Regards
> Muhammad Sajjad 
> Post Doctoral Fellow
> KAUST, KSA.
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