Re: [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
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[Wien] orbital moment-mBJ

[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*
___
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Wien@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