[QE-users] Difficulty with convergence using tefield

Lorenzo Paulatto paulatz at gmail.com
Sun Sep 30 18:54:56 CEST 2018


> I understand what you say about edir, I believe also that the system 
> runs more efficiently with the magnetisation along the z-axis. Do you 
> think overall the code is more efficient with say edir = 3,
> 

Actually, that's only true for the electric field via modern theory of 
polarization (lefield) not for the saw-tooth potential (tefield).

cheers

-- 
Lorenzo Paulatto - Paris


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