[Wien] Isolated Atomic Calculation - all time error

[Stefaan Cottenier]

> agein error in third cycle
>  
> uplapw1.error
>  
>  'SELECT' - no energy limits found for L= 
> 1                                   
>  'SELECT' - E-bottom -200.00000   E-top  439.37500        

Lots of things can go wrong in these sensitive free atom calculations, 
hard to say what exactly from a distance... Some usual suspects:

* A smaller mixing value might help (0.01 ?)
* See the hint in the FAQ about broadening.

Stefaan




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