[Wannier] How to build tight binding (TB) dispersion relations from seedname_hr.dat file of Wannier-90 output

Soumyadeep soumyadeep at rrcat.gov.in
Fri Mar 8 12:35:05 CET 2019


Dear W90 experts,

    I am a new user of wannier-90 code, apologize for the nature of this 
question that having much previous discussion. My aim is to build TB 
dispersion relations as mention in the following paper's appendix 
section (pg.9),
           
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.96.094521

    Up to my  knowledge it can be build using parameters of 
seedname_hr.dat file. But this file contains num_wanXnum_wan matrix 
elements for each lattice vectors. Once I fixed my nearest neighbours 
how to construct such dispersion relations?

    Structure of this file is,
    R1    R2    R3    n    m   H_real    H_imag

    Is H_imag must be zero in practical cases? If yes how to make them 
zero?

thanks in advance and regards
Soumyadeep

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Soumyadeep Ghosh,
Senior Research Fellow,
Indus Synchrotrons Utilization Division,
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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