asr.raman

Summary

This is the documentation for asr.raman-recipe. This recipe is comprised of a single instruction, namely:

Run this recipe through the CLI interface

$ asr run asr.raman

or as a python module

$ python -m asr.raman

Detailed description

Raman spectrum.

Steps

asr.raman

asr.raman.main(atoms)[source]
Parameters

atoms (ase.atoms.Atoms) –

Return type

asr.raman.Result

class asr.raman.Result(freqs_l, amplitudes_vvwl, wavelength_w)[source]
Parameters
  • freqs_l (List[float]) –

  • amplitudes_vvwl (List[List[List[List[complex]]]]) –

  • wavelength_w (List[float]) –

property amplitudes_vvwl: List[List[List[List[complex]]]]

Raman tensor [a.u.]

Return type

typing.List[typing.List[typing.List[typing.List[complex]]]]

property freqs_l: List[float]

Phonon frequencies (the Gamma point) [1/cm]

Return type

typing.List[float]

property wavelength_w: List[float]

Laser excitation wavelength [nm]

Return type

typing.List[float]