Yang Zhong

Results 2 issues of Yang Zhong

Can ABACUS export the matrix elements of the angular momentum operator in the real-space atomic basis?

2 comment

### Background Dear developers, Recently, I want to use our machine learning model [HamGNN](https://github.com/QuantumLab-ZY/HamGNN.git) to fit the SOC Hamiltonian matrix of ABACUS. I plan to use the following formula to...

non-collinear+SOC

Inquiry About rescale_factor in SO3.py

1 comment

Dear Developer, I am writing to inquire about the `rescale_factor = math.sqrt(length / (2 * mmax + 1))` defined in the `SO3_Grid` and `CoefficientMappingModule` classes within `SO3.py`. Could you please...