[Wien] orbital moment-mBJ

[pieper]

High Komal,

please consult the LAPWDM sections in the user guide. There calculation 
of the orbital moment is explained.

Best regards,

Martin Pieper


---
Dr. Martin Pieper
Karl-Franzens University
Institute of Physics
Universitätsplatz 5
A-8010 Graz
Austria
Tel.: +43-(0)316-380-8564


Am 17.11.2016 13:35, schrieb Komal Bapna:
> Dear Wein users
> 
> I am using mBJ potential to perform spin-polarised calculations on a
> perovskite structure. The scf file shows spin magnetic moment. Can I
> have the info about its orbital moment also using "runsp" command as I
> have used or I need to give some more command .
> 
> Please reply
> Regards
> 
> --
> 
> KOMAL
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html