[Wien] spin-obital coupling (LSDA+SO)
蔡 孟秋
caimengqiu at hotmail.com
Fri Jul 13 17:36:18 CEST 2007
Dear Stefaan,
Thanks for your help!.
Sincerely yours,
cai
>From: Stefaan Cottenier <Stefaan.Cottenier at fys.kuleuven.be>
>Reply-To: A Mailing list for WIEN2k users
<wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: Re: [Wien] spin-obital coupling (LSDA+SO)
>Date: Thu, 12 Jul 2007 17:50:57 +0200
>
>
> >I wonder that which elativistic Local Orbitals' (RLO) should be select ?
> >which difference are there for the calculated result?
> >
> >
> >
>See this paper:
>
>Electronic structure of fcc Th - spin orbit calculations with 6p1/2
>local orbital extension
>J.Kunes, P.Novak, R.Schmid, P.Blaha and K.Schwarz, Phys.Rev. B 64,
>153102 (2001)
>
>Stefaan
>
>Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
>
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