[Pw_forum] [pw_forum] how to set up spin-orbital coupling calculation in PWscf

[Stefano Baroni]

I am not sure I understand the question, nor would I probably be able  
to answer if I did. However, you may want to think about the fact  
that in the presence of SO coupling, a system is always (locally)  
spin polarized. You see the point? Stefano

On Jul 27, 2007, at 12:50 AM, Zhiping Yin wrote:

> Dear PWscf users,
>
> I tried to set up spin-orbital coupling calculation in PWscf  
> without spin polarization. I used a full relativistic NCPP and set  
> lspinorb=.true.. However, the output is identical with  
> lspinorb=.false. I wonder what is the correct way to set up a spin- 
> orbital coupling calculation with/without spin polarization. What  
> is the requirement with the pseudopotential. Thanks very much.
>
> Best,
> Zhiping Yin
>
> -- 
> Zhiping Yin
> graduate student
> department of physics
> UC Davis
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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