[Wien] Bandstructure with band character plotting?
Mr C.A. Bridges
cbridges at liverpool.ac.uk
Thu Nov 13 10:10:39 CET 2003
Hello,
Please also check this line in the *.insp file.
1.1 2 4 # line width, line switch, color switch
The line switch must NOT be 1. Set to 2 or 3 to see circles (and get
the character plot).
Note that later in the file there is:
Line switch:
0...dots
1...lines
2...lines and open circle
3...lines and filled circles
Regards,
Craig
On Wed, 12 Nov 2003, Lukasz Plucinski wrote:
>> 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
>
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