jarvis.analysis.phonon.dos¶

Module to analyze phonon dos.

Attributes¶

`icm_to_eV`
`icm_to_thz`
`hbar`
`kB`
`e`
`Na`
`dos_entry`

Classes¶

Module to analyze phonon dos.

Module Contents¶

jarvis.analysis.phonon.dos.icm_to_eV = 0.000123981¶

jarvis.analysis.phonon.dos.icm_to_thz = 0.0299792458¶

jarvis.analysis.phonon.dos.hbar = 6.582119569e-16¶

jarvis.analysis.phonon.dos.kB = 8.617333262145e-05¶

jarvis.analysis.phonon.dos.e = 1.60217662e-19¶

jarvis.analysis.phonon.dos.Na = 6.0221409e+23¶

class jarvis.analysis.phonon.dos.PhononDos(phonon_dos=[], phonon_freq_cm=[])[source]¶

Bases: object

Module to analyze phonon dos.

phonon_dos = []¶

phonon_freq_cm = []¶

debye_temperature(atoms=None)[source]¶: Get Debye temperature.

heat_capacity(temperature=300)[source]¶: Get heat capacity at a temperature.

vibrational_entropy(temperature=300)[source]¶: Get heat vibrational entropy at a temperature.

phonon_isotope_scattering(atoms=None)[source]¶: Get phonon-isotope scattering rate at natural isotopic abundance. Returns scattering rate in units of Hz.

jarvis.analysis.phonon.dos.dos_entry¶