[Pw_forum] RE : error with spin polarized calculation with SOC

[Gabriele Sclauzero]

Dear Kaloni,

Il giorno 05/lug/2012, alle ore 13.59, Thaneshwor Kaloni ha scritto
> Dear Andrea,
> 
> >This option is not implemented. You cannot do a finite electric >field
> >calculation with spin-orbit coupling.
> 
> 
> I have done electric field + SOC calculation already as suggested by Professor Gabriele Sclauzero.

Since Berry phase is not available with SOC, I suggested you to try with the sawtooth potential method.
Mine was just a suggestion, I had not actually checked inside the code at that time. 
I wonder how you managed to do such calculation if the electric field is not implemented for nspin=4 (non collinear). 
In order to include SOC you need nspin=4.

By the way, this forum is rather informal, you do not need to address people with titles here (moreover I'm not a professor).



Regards,


GS

§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne







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