Struct PhononSpectrum 

pub struct PhononSpectrum { /* private fields */ }

A crystal’s phonon density of states ρ(ω), ω in eV: the values ρ_i at ω = i·step, ρ_0 = 0, quadratic in ω up to the first point, linear between the others and zero beyond the last, scaled to unit area.

Implementations

impl PhononSpectrum

pub fn new(step_ev: f64, density: Vec<f64>) -> Result<Self, LatticeError>

The spectrum with values density every step_ev from 0.

Errors

LatticeError::InvalidSpectrum unless step_ev is finite and positive, density holds at least two finite values, 0 or more, the first 0 and another positive, and the scaled values are finite.

pub fn debye(theta_k: f64, points: usize) -> Result<Self, LatticeError>

Debye’s spectrum 3ω²/ω_D³ up to ω_D = k·θ_D, on points values.

Errors

LatticeError::InvalidSpectrum unless theta_k is finite and positive and points is at least 2.

pub fn max_ev(&self) -> f64

The highest phonon energy, eV.

pub fn effective_temperature_k(&self, temperature_k: f64) -> f64

T_eff, the free gas’s temperature with the kernel’s variance at temperature_k: k·T_eff = ½∫ρ·ω·coth(ω/2kT) dω.

pub fn reach_ev(&self, energy_ev: f64, temperature_k: f64, awr: f64) -> f64

How far in energy, eV, the kernel of a nucleus of mass ratio awr at energy_ev and temperature_k reaches on either side of E: the span broaden_in_lattice reads the cross section over.

Trait Implementations

impl Clone for PhononSpectrum

fn clone(&self) -> PhononSpectrum

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for PhononSpectrum

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl PartialEq for PhononSpectrum

fn eq(&self, other: &PhononSpectrum) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for PhononSpectrum