Terms Jprime and B do not appear in siesta2J output

[Jaime Garrido]

Hi TB2J users

It could be a stupid question, but how can I make the biquadratic term B and the term Jprime appear in the output of siesta2J. I do not see them in my exchange.out files and I do not see anywhere if I have to choose a specific option in the input.

I am running DFT calculations with Siesta. The spin is set to noncollinear and Spin Orbit coupling is activated. I am using TB2J 0.8.0

What am I doing wrong?

Thanks in advance

Jaime

[Xu He]

Hello Jaime, 

The feature Jprime and B has been deprecated in TB2J. 

The method is proposed in Phys. Rev. B 96, 144413 but it is the only example I see in literatures. I could reproduce the result there, but it seems for many materials the result doesn't look physical. So I think it is better to remove it before we really understand why. 

Best regards, 

HeXu

 

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