[Wien] AFM calculations with Spin Orbit Coupling

[Wien] AFM calculations

Lawal Mohammed Fri, 20 Apr 2018 04:25:12 -0700

Dear respected Developers and Users,

I am trying to understand how to do AFM calculations with SO. I read section 
4.5.4 of the UG and check some threads in the wien list. 
The way I understand it, one can choose either of the two options.

 1-run runsp_lapw and then do scf with SO
OR
2-runafm_lapw and then do SO
 I may probably be wrong. I want to test run with Fe2O3.

Any advice is highly appreciated.

Regards

Lawal 




https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17297.html