[Pw_forum] K-point convergence help

[Ben Palmer]

Hi everyone,

I made a post some time ago asking for advice on k-point convergence, 
and I had a lot of helpful replies.  I just wanted to ask for a bit more 
help.  I've been converging for Ruthenium and a few other elements.  
They seem to converge at a smearing width of 0.05, then the 18x18x18 
breaks away from the rest at higher smearing widths.  Would this suggest 
0.05 is the sweet spot, or would it mean I'd have to continue to higher 
numbers of k-points?

Plot of force vs smearing width:

Plot of force relative to 18x18x18 k-points:

All the best,

Ben Palmer, Student @ University of Birmingham, UK
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