[CP2K:8513] State of k-Point Implementation

[S Ling]

See here:

https://www.cp2k.org/faq:kpoints

SL


On 2 January 2017 at 11:17, 'M. Brehm' via cp2k <cp... at googlegroups.com>
wrote:

> Dear Community,
>
> I just wanted to ask about the current state of the k point code in CP2k.
> Energy, forces and stress with k points are now implemented since over a
> year, but I heard some rumours that parts of the code might not be working
> as expected. Are the GGA GPW k point forces / stress tensors from the
> current trunk reliable? Are there some special settings one should apply
> (e.g., full k point grid instead of reduced grid)?
>
> Best regards,
> Martin
>
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