diagonalize_pp.hpp File Reference

Diagonalize pseudo-potential Hamiltonian. More...

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Namespaces
module	sirius
	Namespace of the SIRIUS library.

Functions
template<typename T , typename F >
std::enable_if_t<!std::is_same< T, real_type< F > >::value, void >	sirius::diagonalize_pp_exact (int ispn__, Hamiltonian_k< T > const &Hk__, K_point< T > &kp)
template<typename T , typename F >
std::enable_if_t< std::is_same< T, real_type< F > >::value, void >	sirius::diagonalize_pp_exact (int ispn__, Hamiltonian_k< T > const &Hk__, K_point< T > &kp__)
template<typename T , typename F >
sddk::mdarray< real_type< F >, 1 >	sirius::diag_S_davidson (Hamiltonian_k< T > const &Hk__, K_point< T > &kp__)
	Diagonalize S-operator of the ultrasoft or PAW methods. More...
template<typename T , typename F >
auto	sirius::diagonalize_pp (Hamiltonian_k< T > const &Hk__, K_point< T > &kp__, double itsol_tol__, double empy_tol__)

Detailed Description

Diagonalize pseudo-potential Hamiltonian.

Definition in file diagonalize_pp.hpp.