[Wannier] DFT and wannier90 interpolation of band structure

Soumyadeep soumyadeep at rrcat.gov.in
Thu Sep 24 05:30:19 CEST 2020


Dear Bipin,

      Adjust the scale between 0 to 1 by dividing all k values by maximum 
k (DFT and Wannier both). Then in both the cases the scale will be 0 to 
1. Then plot in same graph. Adjust your high symmetry points 
accordingly.

      TTH.

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 23-09-2020 22:03, Bipin Lamichhane wrote:
> Dear All,
> I am new to wannier9, I followed one of the examples of tutorials to
> plot band structure of Silicon using DFT and wannierinerpolation. I am
> able to calculate the band structure but high symmetry points along
> the X-axis have different scales. How can I get two band structure
> plots exactly at the same scale? Thank you.
> 
> Sincerely,
> Bipin
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