[Pw_forum] B3LYP hybrid density functional
lmartinsamos at gmail.com
Tue Aug 23 14:53:55 CEST 2011
Dear Ali, could you, please, be more explicit in your question? in principle
for using B3LYP with pw, you just need to specify in system namelist
input_dft="b3lyp", and this is independent of the element.
2011/8/23 ali ghafari <aaghafari at yahoo.com>
> Dear All
> I would like to use B3LYP hybrid density function for correlated system.
> But I don't know how can I find it for Cu and O. Should I write it by
> Best Wishes
> Pw_forum mailing list
> Pw_forum at pwscf.org
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