[Wannier] Refs for constructing M and A matrices

Hung Pham phamx494 at umn.edu
Mon Nov 13 02:17:19 CET 2017


I am looking for a detailed reference (rather than PR B 1997 and PR B 2001)
that shows how to construct the Mmnkb and Amnk matrices using the u_nk from
an electronic structure code and ouput (l, mr, r, etc) of  wannier_setup. I
am working on making an interface between an electronic code and wannier90.

I was trying to look at pw2wannier90 source code to learn from it but there
are many variables and functions that belong to QE that I am not familiar
with. So I need a practical reference.

I appreciate any suggestion and help.

Thank you in advance,

Best wishes,
Hung Pham


Hung Q. Pham
Gagliardi Group
Office: Smith 101
Email: phamx494 at umn.edu

Department of Chemistry
University of Minnesota - Twin Cities, Minneapolis, MN 55455
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