[Wien] Core-state in Band structure plot

[Stefaan Cottenier]

>     I would like  to  ask if it is possible in band
> structure plot to include the core state as well as
> the valence state. like in Fe for example can I see
> 1s,2s 2p.

Core states would be delta-functions in the DOS. Their energies are 
given in case.scf (per atom there is a list of the energy of every 
core state, starting from :1S). Add these energies as (energy, 
1000000) in case.dos1 by hand (for case.dos1ev you have to convert to 
eV yourself), where 1000000 is just an arbitrarily large number. But 
as you can imagine, there is little useful information in such a 
plot...

>     Another question can I choose the number of
> symmetry point in the brillouin zone  to be plotted in
> the band structure plot

You can select a different k-path in xcrysden (see its manual or 
webpages)

Stefaan