zhangzeyingvv / magnetictb Goto Github PK

The paper arXiv:2012.08871 says the following:

But I can't find any description of it in Mathematica:

Regards,
HZ

Dear Developers,
Thanks for making MagneticTB available for the community.
To obtain fitting parameters, I am trying to use bandManipulateEig[ham,klist,eigdata] module with a user-defined Hamiltonian (instead of generated directly by MagneticTB). The issue I am facing is that kx,ky,kz are also coming as fitting parameters which is not correct. May I ask what I need to change to make the code works for any user defined Hamiltonian?
Below is the screenshot for the issue:

The following is an example represented in examples.nb:

As you can see, there are so many undetermined parameters here, so, what's the method used by you to determine them precisely?

Regards,
HZ

老师好，我希望根据DFT的计算结果拟合费米面附近的能带以建立最小模型。我往往是通过看DFT计算出费米面附近哪些轨道占据大来定出基函数的。但是在实际操作过程中会遇到“Error! Your basis(es) cannot be the rep of point group, I refuse to do this job.”的问题。怎么解决呢？

老师您好！我想请问下MagneticTB在构建磁性体系哈密顿量的时候考虑了那些相互作用呢？除了SOC之外，有没有考虑别的关联效应，例如海森堡或者DM相互作用呢？

In the examples.nb, the following Wyckoff position is used:

But this is inconsistent with the result given on BCS:

I also noticed the similar comment about this problem here:

The above referenced data corresponding to the Wyckoff Positions of Group P6/mmm (No. 191) comes from here:

Any hints will be highly appreciated.

Regards,
HZ