ping-group-ucsc / nonrad

This code computes the nonradiative recombination at defect centers from first-principles

Non-Radiative Code

Description

This code calculates the non-raditive recombination capture coefficient and lifetime as in the articles:

F. Wu, T. J. Smart, J. Xu, and Y. Ping, Physical Review B (Rapid Communication) 100, 081407 (2019).

A. Alkauskas, Q. Yan, and C. G. Van de Walle, Physical Review B 90, 075202 (2014).

L. Shi, K. Xu, and L.-W. Wang, Physical Review B 91, 205315 (2015).

For citation of this code, please cite:

F. Wu, T. J. Smart, J. Xu, and Y. Ping, Physical Review B (Rapid Communication) 100, 081407 (2019).

Prerequisites:

• Python
• pyyaml, numpy, scipy, mpmath, matplotlib

pip install pyyaml numpy scipy mpmath matplotlib

Examples:

Try out the example calculations under the directory ./Examples/

Author(s)

Feng Wu
Tyler J. Smart

nonrad's Issues

Can these code support the VASP input?

Can these code support the VASP input?