[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,
Senior Research Fellow,
Homi Bhabha National Institute (HBNI),
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
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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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