[QE-users] Strength of spin-orbit coupling

[Kayahan Saritas]

Dear QE users, 

I want to modify the spin orbit coupling strength in PBE calculations with ultrasoft pseudopotentials. What would be the most straightforward way to tune the spin orbit coupling for this case? I have searched in the forum, this question was asked once, but not answered in the best detail I think. I have also looked at the code to possibly change the speed of light to modify the Pauli equations. The C_AU parameter is defined in /Modules/constants.f90, but it doesn’t seem to be reused anywhere in PW or PP. I would appreciate if you could let me know what you think. 

Thanks,

Kayahan Saritas  — Yale University
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