[Pw_forum] electron-phonon interaction error.

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Thu Nov 22 11:43:59 CET 2012


Dear  Yanling,


> I think this is unnormal.
>


Why do you think it is unnormal? In high-symmetry materials and q-points it
is perfectly normal to have onyl a few non-zero terms.

>
> For example, at G point, It is
>
> 5.000000000000000E-003 0.762532099281104 6.62981783474504
>

What are these numbers?


>
> DO you meet this case? Could you tell me the reason or how to correct it?
>


Did your phonon dispersion look ok in the first place?
Did you actually compute the el-ph coupling and found it to be uncorrect?

best regards

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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