Struct BandDefaults 

pub struct BandDefaults {
    pub material: &'static str,
    pub kind: BandKind,
    pub fermi_ev: Option<CitedValue>,
    pub work_function_ev: Option<CitedValue>,
    pub valence_band_width_ev: Option<CitedValue>,
    pub band_gap_ev: Option<CitedValue>,
    pub affinity_ev: Option<CitedValue>,
    pub gap: &'static str,
}

The cited band parameters of one material. A field is None where no source that could be opened gives the value; BandDefaults::gap says what was tried. Fields that do not belong to the entry’s BandKind are always None.

Fields

material: &'static str

The material, as a chemical formula ("Si", "SiO2", …).

kind: BandKind

Metal or insulator.

fermi_ev: Option<CitedValue>

Fermi energy above the band bottom, eV (metals).

work_function_ev: Option<CitedValue>

Work function, eV (metals).

valence_band_width_ev: Option<CitedValue>

Valence band width, eV (insulators).

band_gap_ev: Option<CitedValue>

Band gap, eV (insulators).

affinity_ev: Option<CitedValue>

Electron affinity, eV (insulators).

gap: &'static str

Why the missing parameters are missing.

Implementations

impl BandDefaults

pub fn complete( &self, fill: BandFill, provenance: &str, ) -> Result<BandStructure, BandError>

Build a BandStructure from the cited values, taking each missing parameter from fill. provenance names the source of the filled values and must not be blank when any is filled. Refused: a parameter with neither a cited value nor a fill (the error quotes BandDefaults::gap), a fill for a parameter that is already cited, and a fill for a parameter of the other BandKind. The returned band’s provenance lists every cited value with its source, then the filled values with provenance.

Trait Implementations

impl Clone for BandDefaults

fn clone(&self) -> BandDefaults

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Copy for BandDefaults

impl Debug for BandDefaults

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

Formats the value using the given formatter.

impl PartialEq for BandDefaults

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for BandDefaults