[QE-users] How to extract nearest neighbour information from hr.dat file of Wannier-90

[Soumyadeep]

Dear All,

    After a Wannier-90 calculation I get a file seedname_hr.dat, which 
contains hopping parameters between different atomic orbitals. Structure 
of the file is,

     i    j    k   m   n    t_real   t_imag

   i, j, k is the lattice vectors,
   m,n are orbital index,
   t_real,t_imag are real and imaginary part of hopping parameter.

   How can I distinguish which (i,j,k) pair gives nearest neighbour, 
which one gives next nearest neighbours and so on? I have a plan to 
build a tight binding model using these hopping parameters. Please help.

with many thanks and 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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