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

[Wei-Bing Zhang]

Dear Giuseppe

Thanks very much for your reply and valuable suggestions. I will do
further test calculations w.r.t q-points and cut-off energy of plane
wave.  The present problem is that the calculations at some lattice
parameter did not converge even using 1x1x1 q-points. In my opinion,
the calculations with denser q-points and lager cut-off energy should
be more difficult to get electronic S.C.F. Am I right ? Any suggestion
about how to get SCF using hybrid functional?

Thanks and Best wishes

Wei-Bing

-- 
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Dr. Wei-Bing Zhang
Fritz-Haber-Institut der Max-Planck-Gesellschaft
Faradayweg 4-6,D-14195 Berlin-Dahlem / Germany
Phone : ++49-30-8413 4830
Fax   : ++49-30-8413 4701
E-mail: zhangwei at fhi-berlin.mpg.de, weibingzhangavh at gmail.com
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