diagonalize_fp.hpp File Reference

Diagonalize full-potential LAPW Hamiltonian. More...

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Namespaces
module	sirius
	Namespace of the SIRIUS library.

Functions
void	sirius::diagonalize_fp_fv_exact (Hamiltonian_k< float > const &, K_point< float > &)
void	sirius::diagonalize_fp_fv_exact (Hamiltonian_k< double > const &Hk__, K_point< double > &kp__)
void	sirius::get_singular_components (Hamiltonian_k< double > const &Hk__, K_point< double > &kp__, double itsol_tol__)
void	sirius::diagonalize_fp_fv_davidson (Hamiltonian_k< float > const &, K_point< float > &, double)
void	sirius::diagonalize_fp_fv_davidson (Hamiltonian_k< double > const &Hk__, K_point< double > &kp__, double itsol_tol__)
void	sirius::diagonalize_fp_sv (Hamiltonian_k< float > const &, K_point< float > &)
void	sirius::diagonalize_fp_sv (Hamiltonian_k< double > const &Hk__, K_point< double > &kp)
	Diagonalize second-variational Hamiltonian. More...
template<typename T >
void	sirius::diagonalize_fp (Hamiltonian_k< T > const &Hk__, K_point< T > &kp__, double itsol_tol__)
	Diagonalize a full-potential LAPW Hamiltonian. More...

Detailed Description

Diagonalize full-potential LAPW Hamiltonian.

Definition in file diagonalize_fp.hpp.