jarvis.analysis.phonon.dos ========================== .. py:module:: jarvis.analysis.phonon.dos .. autoapi-nested-parse:: Module to analyze phonon dos. Attributes ---------- .. autoapisummary:: jarvis.analysis.phonon.dos.icm_to_eV jarvis.analysis.phonon.dos.icm_to_thz jarvis.analysis.phonon.dos.hbar jarvis.analysis.phonon.dos.kB jarvis.analysis.phonon.dos.e jarvis.analysis.phonon.dos.Na jarvis.analysis.phonon.dos.dos_entry Classes ------- .. autoapisummary:: jarvis.analysis.phonon.dos.PhononDos Module Contents --------------- .. py:data:: icm_to_eV :value: 0.000123981 .. py:data:: icm_to_thz :value: 0.0299792458 .. py:data:: hbar :value: 6.582119569e-16 .. py:data:: kB :value: 8.617333262145e-05 .. py:data:: e :value: 1.60217662e-19 .. py:data:: Na :value: 6.0221409e+23 .. py:class:: PhononDos(phonon_dos=[], phonon_freq_cm=[]) Bases: :py:obj:`object` Module to analyze phonon dos. .. py:attribute:: phonon_dos :value: [] .. py:attribute:: phonon_freq_cm :value: [] .. py:method:: debye_temperature(atoms=None) Get Debye temperature. .. py:method:: heat_capacity(temperature=300) Get heat capacity at a temperature. .. py:method:: vibrational_entropy(temperature=300) Get heat vibrational entropy at a temperature. .. py:method:: phonon_isotope_scattering(atoms=None) Get phonon-isotope scattering rate at natural isotopic abundance. Returns scattering rate in units of Hz. .. py:data:: dos_entry