Download
PROJECT DEVELOPEMENT IS MOVING TO GITHUB!
New website: https://anharmonic.github.io/
Please get the latest version of the code from github repository:
https://github.com/paulatz/d3q
Features
- derivative of total energy from three phonons from density functional perurbation theory
- three-body force constants
- phonon-phonon interaction from anharmonicity, isotopes and boundary scattering
- phonon linewidth/lifetime and 3rd order lineshift
- phonon spectral function
- thermal conductivity in the single-mode approximation
- thermal conductivity from iterative diagonalization of the linearized Boltzmann equation
- final state decomposition of phonon decay
- quasi harmonic approximation (since 1.1.5)
Project Samples
Follow d3q
Other Useful Business Software
Error to trace to log to deploy. One click. No SSH.
AppSignal links every error to the trace, the trace to the log, the log to the deploy that shipped it.
Rate This Project
Login To Rate This Project
User Reviews
-
Very nice Job. Easy to use, well documented and intuitive just like quantum espresso always been.