initialize_subspace.hpp File Reference

Create intial subspace from atomic-like wave-functions. More...

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Namespaces
module	sirius
	Namespace of the SIRIUS library.

Functions
template<typename T , typename F >
void	sirius::initialize_subspace (Hamiltonian_k< T > const &Hk__, K_point< T > &kp__, int num_ao__)
	Initialize the wave-functions subspace at a given k-point. More...
template<typename T >
void	sirius::initialize_subspace (K_point_set &kset__, Hamiltonian0< T > &H0__)

Detailed Description

Create intial subspace from atomic-like wave-functions.

Definition in file initialize_subspace.hpp.