Examples

In this section, we present several example input and output files that demonstrate the main functionalities of vibrant. All example files are available for download from Zenodo. For more details, please refer to the subsections listed below, where we discuss the most prominent examples:

• Static spectral calculations for water molecule
• Static resonance Raman and absorption spectra of R-methyloxirane
• MD-based Spectra of COF-1
• Dissection of the vibrational spectra of COF-1