The Kohn Sham matrix is not 100% occupied

mguidon manuel... at gmail.com
Tue Nov 17 15:11:46 CET 2009


Hi Claudio

> I got it no more than a month ago. Was this fixed before or after this
> revision?
>

Probably afterwards. The code is currently undergoing some major
changes and I strongly recommend you to always use the latest version.

> Also, what about the NaNs in the cube files.

This could be related. But as usual, without input file, there is no
way to track down your problem.

Manuel



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