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

Wei-Bing Zhang weibingzhangavh at gmail.com
Mon Jul 5 17:13:38 CEST 2010


Dear Giuseppe and Paolo

Thanks very much for your reply

I will try to increase the Q-points in calculations. Do you think this
will give a help to convergence?? if so, could you explain this for me
clearly ?  And which parameter will determinate the convergence
actually?

Thanks again 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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