[Pw_forum] How to control the convergence of hybrid functional calculations

[Paolo Giannozzi]

On Jul 5, 2010, at 13:56 , Wei-Bing Zhang wrote:

> In my opinion, the calculations with denser q-points and larger
> cut-off energy should be more difficult to get electronic S.C.F.
> Am I right ?

I don't think so. It may take more time, but not necessarly
more scf iterations

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222