Energy of atomic oxgyen and smearing

Matthias Krack matthia... at
Mon Jul 11 20:56:01 UTC 2016

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


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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