[Wien] non-rectangular cell

[Peter Blaha]

I guess we don"t understand each other.

>   We calculated the same system in rectangular cell with the same R0, RMT, RKmax,
> Kmesh, which cutoff of  RKmax and Kmesh were
>   checked for the best value in rectangular cell.
>   For pure Si,  we chose the RMT=2.0 and it is enough also from result of calculation
> in the rectangular cell, we found  2.1  is enough. You
>   should know this system in rectangular cell  (with the same input) has not any
> problem.

I can see that the energy is decreasing. But I still don"t know for wich
calculation it occurs.