[Wien] Spin-Orbit

[Oleg Rubel]

Dear Riemann,

if you have not done SCF + SO calculation, then follow Tran's advice. In
addition, please read 4.5.5 of the user guide. (The mailing list is not
intended to replace UG.)

I assume that you can do a BS plot without SO. With SO, the main steps
include:
* get case.klist_band (e.g., from XCRYSDEN)
* run 'x laps1'
* run 'x lapwso'
* go to w2web > Tasks > Bandstructure
* proceed as "usual", but activate '-so'

I hope this will help
Oleg

--
Oleg Rubel
Scientist, Thunder Bay Regional Research Institute
Adjunct Professor, Dept Physics, Lakehead University
290 Munro St, Thunder Bay, P7A 7T1, Ontario, Canada
Phone: +1-807-7663350
Fax: +1-807-3441948
E-mail: orubel at lakeheadu.ca
Homepage: http://www.tbrri.com/~orubel/


On Mon, Apr 14, 2014 at 4:41 PM, Riemann Derakhshan <
riemann.derakhshan at gmail.com> wrote:
>
> Dear  Oleg Rubel
>
> Many thanks for Your favour
>
> Since i am absolute beginner< I will be thankful for you if You give me a
detailed guidance.
>
>  I've create structure and run first time with run-scf option from W2web,
but I don't know what I should  do
>
> in the following.
>
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