[Wien] pseudo convergence

[tran at theochem.tuwien.ac.at]

If you used the PRATT method with a very small mixing factor, then
the convergence maybe fake. To be sure it's not the case, restart
(after save_lapw) the calculation with the usual (default)
case.inm file.

F. Tran

On Thu, 23 Jan 2014, Lawal Mohammed wrote:

> Dear Developers and Users,
> 
> Please, how can I know that the mBJ cycle stops at fake convergence?
> Any response is appreciated.
> 
> With regards
> Mohammed Lawal
> 
>