[Wien] Spin-orbit interaction

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Feb 22 21:08:19 CET 2013


In standard Wien2k this is collinear.

However, we also have a noncollinear version WIENNCM (see www.wien2k.at;
reg_user section)

Am 22.02.2013 11:33, schrieb "Chikashi Suzuki (鈴木知史)":
> Dear Wien2k users,
> 
> My name is Chikashi Suzuki, from Japan Atomic Energy Agency.
> I am running wien version WIEN2k 10.1.
> 
> I calculate the electronic structure of americium oxides
> and uranium oxides.
> These calculations need spin-orbit interaction.
> I wonder if this spin-orbit interaction in Wien2k is
> collinear or non-collinear approximation.
> I could not find discriptions about it in the user's guide.
> 
> Sincerely yours
> 
> ***********************************
> Dr. Chikashi Suzuki
> Research Group for Nuclear Materials Modeling
> Nuclear Science and Engineering Directorate
> Japan Atomic Energy Agency
> Tokai-mura, Naka-gun, Ibaraki-ken 319-1195, Japan
> Tel: +81-29-282-6373
> Fax: +81-29-282-6122
> Email: suzuki.chikashi at jaea.go.jp
> E-mail:suzuki.chikashi at jaea.go.jp
> ***********************************
> 
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> 

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671


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