[Q-e-developers] SCAN functional

[Davide Ceresoli]

Hi all,
     if I may add my 2cents, the SCAN functional is implemented in LibXC.
QE already uses LibXC to provide TPSS and TB09. No need to reinvent
the wheel. I'd like to point out, on passing, that meta-GGA support
in QE, somehow degraded with time. It should be revamped.

Best wishes,
     Davide



On 03/23/2017 12:28 AM, Vigil-Fowler, Derek wrote:
> Hi QE developers,
>         My name is Derek Vigil-Fowler and I am a Director's Postdoctoral Fellow at NREL in the US.
>
>         I am intersted in using the SCAN functional and saw some activity in this forum back in October, but there was no resolution. Paolo said something about hearing second hand about an implementation in CP and someone else told me that Roberto Car's group had an implementation, but I don't see anything in CP other than TPSS. I thought I'd check back in on this since a decent amount of time has elapsed. If you could let me know if there's an implementation somewhere in QE community, that would be much appreciated. If not, I'll plow ahead with an implementation.
>
>         Thanks for your time and attention.
>
> -Derek
>
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