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: [email protected], [email protected]
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