[Wannier] problems with wannier band structure

[Marc Höppner]

Dear Elio,

I guess from your email that you want to find a Wannier representation 
of entangled bands, i.e. the number of bands you choose for the Fourier 
transform / Wannierization is not equal to the number of basis functions 
(let's say N). In that case, you have to use the entanglement routine to 
construct a subspace of only N effective bands for which the 
Wannierization routine is called afterwards.

-- 
Kind regards,
Marc Höppner

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On 11.01.2017 20:40, Elio Physics wrote:
> Dear all,
>
>
> I am trying to obtain the band structure of a system of 42 C atoms. The
> bands are intercalated and have a complicated form and I am not being
> able to choose the disentanglement windows. The code is stopping with an
> error:  "Bands less than the number specified in the input file" and whn
> i increase the bands, the bands become bigger in number than the number
> specified in the input and the code complains again. is there a criteria
> to avoid this. How to choose those windows in such a case.
>
>
> OBS: the projection i am using is pz so there has to be 42 wannier
> functions.
>
>
> Thanks in advance
>
>
> Elio
>
> University of Rond.
>
> porto velho
>
> Brazil
>
>
>
>
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