[Wien] surface states band

[Lukasz Plucinski]

Are you interested in surface band structure ? Then generally you need 
to use Tasks/Bandstrucure.

First create case.klist_band, and run lapw1 -band. Then (optionally) 
irrep and lapw2 -band -qtl.

Then you need to edit the file case.insp. There you need to change 
'jatom' -- just give the number of the surface atom. Then set "line 
switch" to 2 or 3 and plot bandstructure. This way you will see which 
states are surface related, and even get the information of the 
symmetries !!

To have more control over the plot you need to write your own 
programs/macros to plot the data which is stored for example is the file 
case.qtl.

Lukasz



Oleg Artamonov wrote:
> Dear Wien2k users,
>
> I performed the SCF cycle for the tungsten slab. What is the right way to 
> separate surface and bulk states and plot band structures for surface and 
> bulk separately?
> Thank you,
>                     Oleg Artamonov.
>
>
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