[Wannier] Question regarding calculation of neighbour cell hopping in wannier90_hr.dat

Santu Baidya santubaidya2009 at gmail.com
Wed Nov 30 08:24:55 CET 2016


Dear Wannier90 users,
I am doing a wannier90 calculation to obtain real space hopping matrix. In the
real space hopping matrix hopping elements are printed for a set of (R1 R2
R3)=(-5 -4 -4) (for example), where (R1,R2,R3) are lattice vectors .For each R1
= -5 R2 should vary from -4 , -3, -2 ,-1, 0, 1, 2, 3, 4 in wannier90_hr.dat.
However, in my wannier90_hr.dat file I can not find few lattice vectors, e.g.,
(-5 0 1). Please tell me how these lattice vectors are printed in
wannier90_hr.dat file. Also, please enlighten about the missing lattice vectors
in the wannier90_hr.dat file.
Thanking you,
Dr. Santu BaidyaIBS-CCES, Seoul National UniversitySouth Korea
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