[CP2K:7155] RPBE functional

S Ling lingsa... at gmail.com
Sun Nov 15 23:31:23 UTC 2015


I think RPBE is not implemented in CP2K, but you can use it from Libxc.


On 15 November 2015 at 00:52, jiabo <lejia... at 163.com> wrote:

> Hi every CP2K user,
> I am looking for the RPBE functional in the reference manual, but can not
> find it. Does anyone know how to call RPBE in the cp2k input file?
> Best regards,
> Jiabo
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