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.
- @jrbp (Author)
Currently only compatible with Abinit wavefunctions in a netcdf format.
Both pymatgen and abipy must be installed to run the script.
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.