Re-exports§
pub use crate::SKmodel::SkAtom;pub use crate::SKmodel::SkParams;pub use crate::SKmodel::SlaterKosterModel;pub use crate::SKmodel::ToTbModel;pub use crate::atom_struct::Atom;pub use crate::atom_struct::OrbProj;pub use crate::cut::CutModel;pub use crate::error::Result;pub use crate::error::TbError;pub use crate::kpoints::gen_kmesh;pub use crate::kpoints::gen_krange;pub use crate::solve_ham::solve;pub use crate::surfgreen::surf_Green;pub use crate::unfold::Unfold;pub use crate::model::*;pub use crate::model_enums::*;pub use crate::model_physics::*;pub use crate::conductivity::*;pub use crate::geometry::*;pub use crate::io::*;pub use crate::kpath::*;pub use crate::math::*;pub use crate::optical_conductivity::*;pub use crate::output::*;pub use crate::velocity::*;pub use crate::wannier90::*;
Modules§
- SKmodel
- atom_
struct - conductivity
- Calculation of linear and nonlinear conductivity tensors using Kubo formalism.
- cut
- error
- src/error.rs This module defines the custom error types for the entire tight-binding library. By using a centralized error enum, we can replace all panics with recoverable Results, making the library safer and more robust for consumers.
- generics
- 这个是给程序提供泛型支持的模块
- geometry
- 这个模块是用wilson loop 的方法来计算各种几何量.
- io
- kpath
- kpoints
- k-point generation and Brillouin zone sampling utilities.
- math
- model
- Core implementation of tight-binding model operations and Hamiltonian construction.
- model_
build - Model construction and Hamiltonian manipulation methods
- model_
enums - Enum definitions for tight-binding models
- model_
physics - Physics calculation methods for tight-binding models
- model_
struct - model_
transform - Model transformation and manipulation methods
- model_
utils - Utility functions and macros for tight-binding model operations
- ndarray_
lapack - 这个模块是用来求解大矩阵的部分本征值的模块, 用的lapackc的 cheevx 等函数求解.
- optical_
conductivity - This module calculates the optical conductivity
- orbital_
angular - This module calculates the orbital Hall conductivity and the orbital angular moment
- output
- 这个模块是用来输出各种标准格式的, 包括
- phy_
const - solve_
ham - 这个模块是用来求解哈密顿量的
- surfgreen
- Surface Green’s function calculations for semi-infinite systems.
- unfold
- velocity
- 这个模块是用来产生某个k点的速度算符
- wannier90