Expand description
Density of States (DOS) and Projected DOS (PDOS).
Re-exports§
pub use dos::compute_dos;pub use dos::compute_pdos;pub use dos::DosResult;pub use dos::compute_dos_parallel;pub use dos::compute_pdos_parallel;pub use multi_method::compute_dos_multimethod;pub use multi_method::DosMethod;pub use multi_method::MultiMethodDosResult;
Modules§
- dos
- Density of States (DOS) and Projected DOS (PDOS).
- multi_
method - Multi-method DOS: use orbital energies from EHT, PM3, xTB, or HF-3c.