[Pw_forum] How to get the wannier_band.dat file

[Dmitry Korotin]

Dear, Y. M. Qian.

Data in wannier_bands.dat are eigenvalues of Hamiltonian in Wannier
functions basis. I suppose that it is definetly what you need.
There are no special parameters that control the output. You are only
able to generate or not to generate wannier_bands.dat during
Hamiltonian matrix construction.

Anyway, there are special example of wannier_ham.x run in standart QE examples.

You are welcome to ask if you have any questions.

2010/11/10 yumin qian <yuminqian at gmail.com>:
> Dear PWscf user
>      I want to get the band dispersion information using wannier orbital, I
> find the file  wannier_ham.f90 the output date can be written
> in wannier_band.dat
>      is anybody  know what data is meaning? Are they the same with
> conventional band dispersion curve ?  which parameter control the output
> data?
>
> --
> Sincerely Y. M. Qian
> Laboratory of Condensed Matter Theory and Materials Computation
> Institute of Physics(IOP), Chinese Academy of Sciences(CAS)
> Tel:  + 8610 8264 9147
> E-Mail:yuminqian at gmail.com
> P.O.Box 603   Beijing 100190
> China
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>



-- 
Best regards,
Dmitry Korotin

Institute of Metal Physics
S. Kovalevskaya, 18
620041 Ekaterinburg GSP-170
Russia