Broken SOC in electron-phonon calculation in QE-6.8

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Vahid
Posts: 93
Joined: Fri Apr 08, 2016 11:02 pm
Affiliation:

Broken SOC in electron-phonon calculation in QE-6.8

Post by Vahid »

Dear EPW Users,

On the QE Github page, it states that for QE-6.8


* electron-phonon calculation in the non-colinear/spinorbit case is broken

Does this refer to electron-phonon calculation with the EPW code?

I am asking this because electron-phonon calculation can also be done with the Phonon code. I asked the QE Forum but no one seems to know which code is broken.

Thank you,
Vahid

Vahid Askarpour
Department of physics and atmospheric science
Dalhousie University
Halifax, NS
CANADA

hlee
Posts: 308
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: Broken SOC in electron-phonon calculation in QE-6.8

Post by hlee »

Dear Vahid Askarpour:
On the QE Github page, it states that for QE-6.8


* electron-phonon calculation in the non-colinear/spinorbit case is broken

Does this refer to electron-phonon calculation with the EPW code?
No, it refers to the part for e-ph calculation in the phonon code (ph.x) of the Quantum ESPRESSO.
In ph.x, I think that the e-ph calculation with non-collinear magnetism was not disabled, but it doesn't work correctly; I am not 100% sure, but I guess that it works in case of non-magnetic spin-orbit coupling.

In EPW, the evaluation of e-ph vertex works with non-magnetic spin-orbit coupling, but currently it is not implemented in case of non-collinear magnetism.

Sincerely,

H. Lee

Vahid
Posts: 93
Joined: Fri Apr 08, 2016 11:02 pm
Affiliation:

Re: Broken SOC in electron-phonon calculation in QE-6.8

Post by Vahid »

Hi hlee,

Thank you for this clarification.

Best,
Vahid

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