[Wien] band structure

Rocquefelte Xavier.Rocquefelte at cnrs-imn.fr
Fri Feb 24 08:00:38 CET 2012


The table 4.2 of the userguide (p. 35) gives you some hints. In 
particular, the main input file for spaghetti is case.output1.
It provides the energy of each bands along the k-path you have defined 
(x lapw1 -band).

Regards

Xavier



On 02/23/2012 09:25 PM, Saba Sabeti wrote:
> Dear all users,
> Greetings,
> I wondered if you could help me in answering some questions about 
> spaghetti output and the bandstructure input file that I think it 
> should be case.outputsp
> If I am right and case.outputsp is the relevant file, please help me 
> in reading this file to gain the exact measure of the gaps and other 
> information.
> Furthermore, would you please help me in recognizing the bands? For 
> example I don't know how it is possible to recognize gamma 7 and gamma 
> 6 -two 2-fold degenerate bands- in topological insulator's bandstructure.
> Regards
> --Saba Sabetti
>
>
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