vibrant
Overview¶
The vibrant code is a post-processing tool for calculating vibrational spectra from ab initio data.
Features¶
IR and Raman spectra from static calculations or ab initio molecular dynamics.
Resonance Raman spectra via efficient Padé approximation or explicit frequency sampling.
Absorption spectra computed alongside vibrational data for comprehensive analysis.
Fast and efficient post-processing of large systems and long trajectories.
Applicable to single molecules, liquids and materials
Quick Start¶
To get started with vibrant, see the Quick Start section of the documentation.