[Wien] ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Sat Oct 30 10:15:58 CEST 2010


> When I add spin-orbit interaction to my calculation (UC and UN) I get
> the following message after lapw0:
>
> ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
>
> Can somebody, please tell me what this is and what should I do to avoid
> this message. Without spin-orbit, the calculation runs smoothly.

How did you add spin-orbit coupling? I mean: what did you reply to all 
questions asked by initso_lapw ?

Stefaan


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