Hi,
Why are you using the split gauss option? Have you checked the
resulting gaussians?
Do they decay to zero?
Regarding the convergence, if the Harris Energy is converged, you
could try to stop the
calculation and restart it (reading the coordinates and density
matrix). It many
Did you try to converge the bulk Ni?
Your MixingWeight is quite small, it looks to me that you have problems
with your k-gird.
If k-grid is dense enough, the only thing to try is to increase the
electronic temperature or use MP mixing scheme.
I think DZ is not the best choice, try DZP.
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