symmetrize_density_matrix.hpp File Reference

Symmetrize density matrix of LAPW and PW methods. More...

Go to the source code of this file.

Namespaces
module	sirius
	Namespace of the SIRIUS library.

Functions
void	sirius::apply_symmetry_to_density_matrix (sddk::mdarray< std::complex< double >, 3 > const &dm_ia__, basis_functions_index const &indexb__, const int num_mag_comp__, std::vector< sddk::mdarray< double, 2 > > const &rotm__, sddk::mdarray< std::complex< double >, 2 > const &spin_rot_su2__, sddk::mdarray< std::complex< double >, 3 > &dm_ja__)
void	sirius::symmetrize_density_matrix (Unit_cell const &uc__, density_matrix_t &dm__, int num_mag_comp__)
	Symmetrize density matrix. More...

Detailed Description

Symmetrize density matrix of LAPW and PW methods.

Definition in file symmetrize_density_matrix.hpp.