Increase SOC strength for band structure calculations?

structure determination,...

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memelordjeff
Posts: 1
Joined: Thu Jan 04, 2018 10:09 pm

Increase SOC strength for band structure calculations?

Post by memelordjeff » Thu Jan 04, 2018 10:15 pm

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!

amadon
Posts: 44
Joined: Mon Aug 24, 2009 10:58 am

Re: Increase SOC strength for band structure calculations?

Post by amadon » Mon Apr 23, 2018 11:47 am

Hello,

You can use the variable spnorbscl
https://docs.abinit.org/variables/paw/#spnorbscl

Best regards
Bernard
Bernard Amadon
CEA
France

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