[Wannier] Can botlzwann calculate Seebeck including spin-orbit interaction

[Giovanni Pizzi]

Dear jichang, 

Please remember to sign your posts with your scientific affiliations. 

Regarding your question: yes, it can. 
You need of course to do all preliminary steps with spin-orbit (dft, wannierization), and Boltzwann will work correctly. 

Remember to check in the .wpout output that num_elec_per_state is equal to one, this should be set automatically if spinors is set to true. 

Best, 
Giovanni Pizzi 


--

Giovanni Pizzi 
Research scientist 
EPFL STI IMX THEOS
Lausanne, Switzerland 


-------- Messaggio originale --------
Da:RENJichang <jedren at hotmail.com>
Inviato:Wed, 21 Sep 2016 04:34:07 +0200
A:"Wannier at quantum-espresso.org" <wannier at quantum-espresso.org>
Oggetto:[Wannier] Can botlzwann calculate Seebeck including spin-orbit	interaction

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