[Q-e-developers] Error in Phonon Code_Spin orbit coupling calculation

[Stefano de Gironcoli]

Great Nicola !
So can we expect you guys to put some effort to maintain and extend it ?

stefano 
(sent from my phone)

> On 29 Jun 2016, at 09:59, Nicola Marzari <nicola.marzari at epfl.ch> wrote:
> 
>> On 29/06/2016 08:26, Paolo Giannozzi wrote:
>> Is anybody interested in maintaining the spin-orbit case for phonon?
>> 
>> Paolo
> 
> Ciao Paolo,
> 
> 
> we would really need it - a lot of the interesting 2d materials have
> strong spin-orbit, and all the thermodynamics + inelastic transport might
> be affected. In general I also think we should push qe for topological
> materials, and antimo is working on a validated pseudopotential table
> for relativistic potentials.
> 
>            nicola
> -- 
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
> Director, National Centre for Competence in Research NCCR MARVEL, EPFL
> http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
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