[Wien] Bandstructure with band character plotting?
Lukasz Plucinski
pluto at buphy.bu.edu
Thu Nov 13 04:40:20 CET 2003
> I am caculating the surface of GaN (1010) surface using a slab
> model. When I get a bandstructure of this surface, I want to select the
> surface sates bands, so I use the bandstructure with band character
> plotting. I have set the jatom and jtype in the *.insp file,
> but I got a bandstructure without character plotting. I cant understand
> it. I using the WIEN2K02. Would you please to help me resolve this
> problem?
Hello,
Probably I can't help much, just 2 notes:
1. Simplest stupid guess: did you calculate
x lapw2 -band -qtl -c (Calculate partial charges ("qtl"-file))
before editing *.insp file and running spaghetti?
2. I know one paper somehow related to your subject: Wichert et al. Phys.
Stat. Sol. 215, 751 (1999).
Regards,
Lukasz
More information about the Wien
mailing list