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: soumyadeepghos...@gmail.com, soumyad...@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.cant...@spin.cnr.it
gcant...@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 <edupera...@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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