Energy of atomic oxgyen and smearing

[Matthias Krack]

In that case, I suggest that you post the full input file.

M.


On Monday, 11 July 2016 22:08:47 UTC+2, Natalie Austin wrote:
>
> Thank you Matthias, I tried as you suggested and unfortunately it did not 
> work. I haven't been able to get convergence without smearing for O still.  
>
>
>>
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