Increase SOC strength for band structure calculations?
Moderator: bguster
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Increase SOC strength for band structure calculations?
I've been trying to figure out a way to increase the SOC strength for band structure calculations. I've gone through input variables and the various tutorials, but it doesn't seem like there's a way to do this in Abinit. Anyone know if its possible to do this? For background I'm using PAW psuedopotentials... Thanks in advance!
Re: Increase SOC strength for band structure calculations?
Hello,
You can use the variable spnorbscl
https://docs.abinit.org/variables/paw/#spnorbscl
Best regards
Bernard
You can use the variable spnorbscl
https://docs.abinit.org/variables/paw/#spnorbscl
Best regards
Bernard
Bernard Amadon
CEA
France
CEA
France