[Q-e-developers] R: Re: SCAN functional

[Davide Ceresoli]

Dear Derek,I'll commit shortly a patch for meta-ggas. With the current version of the code one cannot restart neither compute bands/dos with mggas. If I manage I can try to add SCAN-libxc copying the routine for tpss and tb09. By this token, it would be possible to implement many other metaggas present in libxc, with little effort (help will be welcome).
Best wishes.D.


Inviato da Tablet Samsung.
-------- Messaggio originale --------Da: "Vigil-Fowler, Derek" <Derek.Vigil-Fowler at nrel.gov> Data: 23/03/17  21:23  (GMT+01:00) A: q-e-developers at qe-forge.org Oggetto: Re: [Q-e-developers] SCAN functional 
Hi Davide,
      Many thanks for letting me know that SCAN is in LibXC. I will try
that first. I am sorry to hear that meta-GGAs are not working well in QE.
I hope it does not cause problem for intended calculations. I¹ll certainly
report any problems I have.

-Derek

On 3/23/17, 5:00 AM, "q-e-developers-bounces at qe-forge.org on behalf of
q-e-developers-request at qe-forge.org" <q-e-developers-bounces at qe-forge.org
on behalf of q-e-developers-request at qe-forge.org> wrote:

>Re: SCAN functional


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