Coolvib uses Fermi's Golden rule to calculate vibrational relaxation rates and lifetimes due to nonadiabatic effects on metal surfaces. The code uses precomputed electronic structure information from software packages such as FHI-aims and SIESTA.
For more details, have a look at the documentation at https://maurergroup.github.io/coolvib/
- Python 2.7.x
- Numpy >=1.6
- Scipy >=0.12
- matplotlib>=1.2
- Atomic Simulation Environment ASE
- After installing all dependencies, just issue make and include build/ into PYTHONPATH
coolvib is licensed under the GNU General Public License, version 3 (gnu.org/licenses/gpl.html)
Reinhard Maurer,
Mikhail Askerka