diagonalize.hpp File Reference

Entry point for Hamiltonain diagonalization. More...

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Classes
struct	sirius::diagonalize_result_t

Namespaces
module	sirius
	Namespace of the SIRIUS library.

Functions
template<typename T , typename F >
auto	sirius::diagonalize (Hamiltonian0< T > const &H0__, K_point_set &kset__, double itsol_tol__)
	Diagonalize KS Hamiltonian for all k-points in the set. More...

Detailed Description

Entry point for Hamiltonain diagonalization.

Definition in file diagonalize.hpp.