[Wien] Convergence speed

[Valerio Bellini]

Dear Leonardo,

In general, it depends on how many spin degress of freedom you have,
i.e. how many magnetic atoms in the cell.
I think that is pretty normal..actually I would say your convergence speed
is above average..since for many magnetic systems I have converged,
I found a much slower convergence and more marked oscillating behaviour..
regards,
Valerio

>:DIS  :  CHARGE DISTANCE       0.0006860
>:DIS  :  CHARGE DISTANCE       0.0002990
>:DIS  :  CHARGE DISTANCE       0.0002219
>:DIS  :  CHARGE DISTANCE       0.0001583
>:DIS  :  CHARGE DISTANCE       0.0001154
>:DIS  :  CHARGE DISTANCE       0.0000934
>
>which looks very slow and oscillating.
>Is this a case to be considered pathological
>and signalling hidden errors in the calculation
>or is it still an acceptable convergence trend?
>  
>