pub struct BandStructure {
pub kpoints: Vec<KPoint>,
pub bands: Vec<Vec<f64>>,
pub n_bands: usize,
pub n_kpoints: usize,
pub fermi_energy: f64,
pub direct_gap: Option<f64>,
pub indirect_gap: Option<f64>,
pub high_symmetry_points: Vec<(String, usize)>,
}Expand description
Result of a band structure calculation.
Fields§
§kpoints: Vec<KPoint>k-points along the path.
bands: Vec<Vec<f64>>Eigenvalues at each k-point: bands[k_idx][band_idx] in eV.
n_bands: usizeNumber of bands (= number of basis functions per cell).
n_kpoints: usizeNumber of k-points.
fermi_energy: f64Fermi energy estimate (eV).
direct_gap: Option<f64>Direct band gap (eV), if any.
indirect_gap: Option<f64>Indirect band gap (eV), if any.
high_symmetry_points: Vec<(String, usize)>High-symmetry point labels and their k-indices.
Trait Implementations§
Source§impl Clone for BandStructure
impl Clone for BandStructure
Source§fn clone(&self) -> BandStructure
fn clone(&self) -> BandStructure
Returns a duplicate of the value. Read more
1.0.0 · Source§fn clone_from(&mut self, source: &Self)
fn clone_from(&mut self, source: &Self)
Performs copy-assignment from
source. Read moreSource§impl Debug for BandStructure
impl Debug for BandStructure
Source§impl<'de> Deserialize<'de> for BandStructure
impl<'de> Deserialize<'de> for BandStructure
Source§fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>where
__D: Deserializer<'de>,
Deserialize this value from the given Serde deserializer. Read more
Auto Trait Implementations§
impl Freeze for BandStructure
impl RefUnwindSafe for BandStructure
impl Send for BandStructure
impl Sync for BandStructure
impl Unpin for BandStructure
impl UnsafeUnpin for BandStructure
impl UnwindSafe for BandStructure
Blanket Implementations§
Source§impl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
T: ?Sized,
Source§fn borrow_mut(&mut self) -> &mut T
fn borrow_mut(&mut self) -> &mut T
Mutably borrows from an owned value. Read more
Source§impl<T> CloneToUninit for Twhere
T: Clone,
impl<T> CloneToUninit for Twhere
T: Clone,
Source§impl<T> IntoEither for T
impl<T> IntoEither for T
Source§fn into_either(self, into_left: bool) -> Either<Self, Self>
fn into_either(self, into_left: bool) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left is true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left(&self) returns true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§impl<T> Pointable for T
impl<T> Pointable for T
Source§impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
Source§fn to_subset(&self) -> Option<SS>
fn to_subset(&self) -> Option<SS>
The inverse inclusion map: attempts to construct
self from the equivalent element of its
superset. Read moreSource§fn is_in_subset(&self) -> bool
fn is_in_subset(&self) -> bool
Checks if
self is actually part of its subset T (and can be converted to it).Source§fn to_subset_unchecked(&self) -> SS
fn to_subset_unchecked(&self) -> SS
Use with care! Same as
self.to_subset but without any property checks. Always succeeds.Source§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.