[Wien] interesting problem

[Peter Blaha]

Indeed interesting!

It should not occur, and looks as if you have CLMsum file with L=2 
M=...; where all coefficients are zero.

Looks as if your clmsum file is corrupt or the LM list is wrong.

Regards

Zsolt Rak schrieb:
> Dear wien2k users,
> 
> I' doing a supercell calculation and after adding spin orbit 
> interaction, I've got this interesting message:
>  
> 
> cycle 1     (Mon Dec 25 09:29:24 EST 2006)  (40/40 to go)
> 
>  >   lapw0       (09:29:24)  ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
>  ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
> 49.932u 1.353s 0:51.39 99.7%    0+0k 0+0io 0pf+0w
>  >   lapw1  -up          (09:30:15)
> 
> What is this about? Can anyone help me?
> 
> Thanks.
> Zsolt
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien