[Wannier] Different scale in the wave vector path between pw.x and wannier90

Soumyadeep soumyadeep at rrcat.gov.in
Mon Nov 4 15:15:34 CET 2019


As per my experience Giovanni is absolutely correct. Try to rescale the 
paths from 0 to 1 by dividing each k-vector by the largest one for DFT 
as well as Wannnier interpolated bands. Also high symmetry points must 
be rescaled in same manner.

with best regards
Soumyadeep
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Soumyadeep Ghosh,
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On 04-11-2019 19:08, Giovanni Cantele wrote:
> I think one is in A^{-1} (Wannier90), the other in units of 2 pi / a.
> You can just take the largest value on the x-axis and rescale one with
> respect to the other.
> 
> Giovanni
> 
> --
> 
> Giovanni Cantele, PhD
> 
> CNR-SPIN
> c/o Dipartimento di Fisica
> Universita' di Napoli "Federico II"
> Complesso Universitario M. S. Angelo - Ed. 6
> Via Cintia, I-80126, Napoli, Italy
> 
> e-mail: giovanni.cantele at spin.cnr.it
>             gcantele at gmail.com
> Phone: +39 081 676910
> Skype contact: giocan74
> Web page: https://sites.google.com/view/giovanni-cantele
> 
>> On 1 Nov 2019, at 21:49, Eduardo Perassi <eduperassi at hotmail.com>
>> wrote:
>> 
>> Hello, i am trying to calculate bands from pw.x and wannier90 but
>> after the calculation both plot present different scale along the
>> wave vector path so how can i fix it? Thanks!
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