A python module to operate Tiniba.

Quick links

1. Tutorial
2. Install

About me

This repository is a python script with automatic workflows to compute optical responses of materials. The script can read geometry data from material sciences repositories as PyMatGen, and other common file formats.
See a list of examples in the "examples" directory.

Below we show an example of calculation obtained with this script.

Optical spectra calculated with OPTpy and Tiniba.
Shift current (top) and linear absorption (bottom).

See Rangel, M. Fregoso et al., Phys. Rev. Lett. 119, 067402 (2017)

License

This software is free to use under the BSD license. See license.txt for more information.