[Pw_forum] Is it possible to sitch on SOI and LDA+U ?

[Gabriele Sclauzero]

Il giorno 28/mar/2011, alle ore 12.37, Magdalena Birowska ha scritto:

> Dear users,
> 
> Is it possible to turn on at the same time Spin Orbit Iteraction and LDA+U corection?

It would be nice, but the answer is no, unfortunately...

Personally I know only one electronic structure code that has such a feature, it is the ELK all-electron code, see http://elk.sourceforge.net/ (under "Advanced").


HTH

GS


> 
> Best regards;
> Magdalena Birowska
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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