Struct Parameters 

pub struct Parameters<const DIM: usize> {
    pub T: Array1<f64>,
    pub mu: Array1<f64>,
    pub eta: f64,
    pub kmesh: [usize; DIM],
    pub omega: Array1<f64>,
    pub spin: Option<SpinDirection>,
    pub direction: Array2<f64>,
    pub integration: Integration,
    pub field_symmetry: FieldSymmetry,
}

Unified physical parameters for every response calculation.

One structure is shared by hall_conductivity, quantum_geometry, optical_conductivity, extrinsic_nonlinear_hall and intrinsic_nonlinear_hall. Each method reads only the fields it needs; the remaining fields are silently ignored.

Fields

T: Array1<f64>

Temperature in kelvin. T[0] == 0.0 selects the exact zero-temperature step function; T[0] > 0.0 selects Fermi-Dirac occupation at that temperature. Only T[0] is currently used.

mu: Array1<f64>

Chemical potential(s) in eV. Methods that expect a single chemical potential (optical conductivity) use mu[0] and require one element.

eta: f64

Non-negative energy-denominator regularization in eV.

kmesh: [usize; DIM]

Number of uniform samples along each reciprocal-lattice direction.

omega: Array1<f64>

Photon / perturbation frequency(ies) in eV. Methods that expect a single frequency use omega[0]; the optical conductivity scans all frequencies.

spin: Option<SpinDirection>

Spin-current polarization. None selects the charge current.

direction: Array2<f64>

Direction matrix with shape (rank, DIM):

• rank = 2 for rank-two tensors (Hall, quantum geometry, optical component): row 0 = first tensor index, row 1 = second tensor index.
• rank = 3 for rank-three tensors (nonlinear Hall): row 0 = current direction, rows 1-2 = field directions.

integration: Integration

Brillouin-zone integration algorithm.

field_symmetry: FieldSymmetry

Ordering convention for the two field indices of the extrinsic nonlinear Hall response. Ignored by all other methods.

Implementations

impl<const DIM: usize> Parameters<DIM>

pub fn new(kmesh: [usize; DIM], direction: Array2<f64>, mu: Array1<f64>) -> Self

Construct a zero-temperature charge-response parameter set with 1e-3 eV broadening, DC frequency and direct integration.

pub fn at_mu(kmesh: [usize; DIM], direction: Array2<f64>, mu: f64) -> Self

Convenience constructor for a single chemical potential.

pub fn rank2( kmesh: [usize; DIM], direction_a: [f64; DIM], direction_b: [f64; DIM], mu: Array1<f64>, ) -> Self

Rank-two charge response from two const-generic direction vectors.

pub fn rank3( kmesh: [usize; DIM], current: [f64; DIM], field_1: [f64; DIM], field_2: [f64; DIM], mu: Array1<f64>, ) -> Self

Rank-three charge response from const-generic current and field vectors. Row 0 is the current, rows 1-2 the fields.

pub fn with_temperature(self, kelvin: f64) -> Self

Set the temperature in kelvin.

pub fn with_spin(self, spin: SpinDirection) -> Self

Select the spin-current polarization.

pub fn with_frequency(self, omega: f64) -> Self

Set a single frequency in eV.

pub fn with_integration(self, integration: Integration) -> Self

Select the Brillouin-zone integration algorithm.

Trait Implementations

impl<const DIM: usize> Clone for Parameters<DIM>

fn clone(&self) -> Self

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl<const DIM: usize> Debug for Parameters<DIM>

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

Formats the value using the given formatter.