rCAM-B3LYP functional

Ondrej Marsalek ondrej.... at gmail.com
Tue May 10 19:52:05 UTC 2011


Hi,

I would like to ask whether anyone has any successful calculations
using the rCAM-B3LYP functional. I found it in the tests, but have
trouble converging most calculations with it. For example increasing
the basis set of the test from 6-31++ to 6-311++ seems to make
convergence impossible (with other settings the same). I would be
grateful for any suggestions or pointer to resources.

Thanks,
Ondrej



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