NaN problem with m-GGA (TPSS)


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Forum Vet
10:56:41 AM PDT - Tue, Apr 9th 2019
Quote:Jcpkato Apr 5th 10:17 pm
It does not works for me.

I do not have this problem when i calculate with any GGA or hybrid, the problem appears when i use any mGGA


Jcpkato, I have found and fixed a problem in ctpss.
https://github.com/nwchemgit/nwchem/issues/108

If you find a problem in another metaGGA, please post your input here.
Thanks, Edo