[Wannier] Calculating the eigenvectores by Wannier90

Lorenzo Paulatto paulatz at gmail.com
Sat Aug 3 10:09:14 CEST 2019


If what you want to do is interpolate the Bloch wavefunction at an
arbitrary k-point from Wannier functions, that's an appealing idea in
theory, but in practice it is quite difficult to implement. On the other
hand, any decent total energy code can compute wavefunctions non
self-consistently at any k-point.

Regards


-- 
Lorenzo Paulatto

On Wed, 31 Jul 2019, 14:26 Ali Dehghan, <aldehghan at shirazu.ac.ir> wrote:

> Dear all,
>
> How can I compute eigenvectors (periodic part of the Bloch functions)
> using Wannier90? I'm really sorry if the question is so basic and simple.​
> Thanks for your time and consideration.
>
>
> Best regards,
>
> Ali Dehghan,
> Shiraz University, Iran
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