[Wien] elastic properties with MBJ

[tran at theochem.tuwien.ac.at]

The MBJ potential should be used only for the calculation
of the electronic and magnetic properties, but not for
quantities which involve the total energy like the
elastic properties. MBJ is only a potential and there
is no associated functional (LDA was arbitrarily chosen as
the energy funtional for MBJ, option 28).

F. Tran

On Sat, 26 May 2012, shahram solimanpour wrote:

> Dear Wien2k users,
> How can the elastic properties calculated using the MBJGGA?
> please help me in this case.
> Sincerely Yours,
> Shahram Soleimanpour
> 
> -- 
> تا کجا می برد این نقش به دیوار مرا ؟
> تا بدان جا که فرو می ماند
> چشم از دیدن و لب نیز ز گفتار مرا
> 
> *$h at hr@m*
>