Ncmexp2717 / HWC

Code for calculating hybrid Wannier centers (HWCs) and the electric layer polarization of bulk system using parallel transport construction.

HWC

Code for calculating hybrid Wannier centers (HWCs) and the electric layer polarization of bulk system using parallel transport construction.

Copyright (C), 2016-2017, Naoya Yamaguchi and Fumiyuki Ishii.

This software includes the work that is distributed in version 3 of the GPL (GPLv3).

How to install HWC:

1. Extract 'HWC.zip' or 'HWC.tar.gz' downloaded from here.
2. Copy the extracted files into the source directory of OpenMX.
3. Execute the command make HWC in the source directory.

How to run HWC:

1. Specify *.scfout file as follows: ./HWC example.scfout
2. Answer the questions interactively asked from HWC.