[Wien] TELNES and problem of SO

[Walid Hetaba]

Hi,

Am 2012-04-11 14:48, schrieb bruce.tian:
> 1. I tried different cases and found that TELNES3 of TiN works well. 
> But for the cases involving spin polarization, such as Ni, NiO, x 
> TELNES3 doesn't work. Hope this can help.

for spin-polarized systems it is important to specify -up or -dn 
depending on the case you are interested in. E.g. "x telnes3 -up" or "x 
telnes3 -dn".

Note that due to case sensitivity, telnes3 has to be given in lower-case.
If you have any specific error-message, it would be helpful if you post 
it too. Otherwise we can only speculate.

Best regards,
Walid

P.S.: Did you try to use the w2web interface? That should take care of 
all these problems.


-- 
Dipl.-Ing. Walid Hetaba
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Vienna University of Technology
Institute of Solid State Physics
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