Enum KPointScheme 

pub enum KPointScheme {
    None,
    Gamma,
    MonkhorstPack(u32, u32, u32),
    ExplicitList(Vec<[f64; 4]>),
}

Specifies how k-points are generated

Variants

None

No k-points (isolated molecule)

Gamma

Gamma point only

MonkhorstPack(u32, u32, u32)

Monkhorst-Pack grid with specified divisions in each direction (n1, n2, n3)

ExplicitList(Vec<[f64; 4]>)

Explicit list of k-points: each entry is [kx, ky, kz, weight]

Trait Implementations

impl Clone for KPointScheme

fn clone(&self) -> KPointScheme

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for KPointScheme

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for KPointScheme

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for KPointScheme

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.