Table of Contents

• Description
  • Maintainers
• Prerequisites
• Usage

Description

Compute changes in polarization between closely related structures without constructing a path of intermediate states.

See the paper at arXiv:2002.02995 [cond-mat.mtrl-sci]

Currently the code is very much in an alpha state and not so user friendly.

This page will be updated with detailed configuration and usage instructions soon.

Maintainers

• @jrbp (Author)

Prerequisites

Currently only compatible with Abinit wavefunctions in a netcdf format.

Both pymatgen and abipy must be installed to run the script.

Usage

Running:

will describe arguments that can be passed to the script.

This page will be updated with examples both on using the code from the command line and as a python library.