[Wien] TELNES3 with spin

[Peter Blaha]

Checkout the w2web interface: You should use   x qtl -telnes -up/dn

Am 14.03.2012 14:58, schrieb Che Seabourne:
> Dear all,
>
> I would just like to confirm methodology (and indeed feasibility) of doing TELNES3 calculations after running runsp_lapw type calculations. x lapw1 -dn; x lapw1 -up; x lapw2 -dn
> -qtl; x lapw 2 -up -qtl; x telnes 3 is not working. Is there something I am missing here?
>
> Best wishes
>
> Che
> --------------------------------------------------------------------------------------------------
> Dr. Che R. Seabourne
> Post-doctoral research fellow
> Institute for Materials Research, SPEME
> /Ab-initio/ Modelling Group, Room B20c
> Engineering Building (formerly Houldsworth Building)
> University of Leeds
> Woodhouse Lane
> LS2 9JT
> --------------------------------------------------------------------------------------------------
> 0113 343 0141
> cheseabourne at gmail.com <mailto:cheseabourne at gmail.com>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------