[Pw_forum] pw2casino + SOC

[Lorenzo Paulatto]

Non-collinear magnetization is not implemented in pw2casino. There are 
other ways to export the wavefunctions, or to interface the 
wavefunctions from pw.x with other codes; but if you want a more useful 
answer you should provide some detail about what you want to do and how 
exactly you are trying to do it.

kind regards

p.s. I found 5 minutes to regenerate the SG15 ONCV pseudopotentials of 
Te and W with the full-relativistic code, they won't solve this specific 
problem, but I can send them to you if you want.



On 05/12/17 08:09, Eliya Asmani wrote:
> Dear all,
> 
> I have used pw.x -pw2casino in order to extract  wavefunctions. Now I 
> want to add spin-orbit coupling to my calculations, but I get error like 
> this
> 
> *** Process received signal ***
> Signal: Segmentation fault (11)
> Signal code: Address not mapped (1)
> Failing at address: (nil)
> 
> How can I obtain the coefficients of plane waves with SOC?
> 
> Eliya Asmani,
> Postdoctoral Researcher
> School of Physics, Institute for Research in Fundamental Sciences (IPM)
> Tehran, Iran
> 
> 
> 
> 
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-- 
Lorenzo Paulatto - Paris