[Pw_forum] B3LYP hybrid density functional

[Layla Martin-Samos]

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.

cheers

Layla

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
> myself?
>
> Best Wishes
> Ghafari
>
>
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