Inheritance diagram for TB_Model_Slater_Koster:

Collaboration diagram for TB_Model_Slater_Koster:

Public Member Functions
virtual void	setup (Parameter_Map &param_map)

void	setup_blocksizes ()

void	setup_potential_scale_for_orbital (Parameter_Map &param_map)

virtual size_t	get_nr_at () const
	How many atoms.

double	peierls_phase (const Vec3d &R1, const Vec3d &D) const

void	add_from_Surface_Passivation_Block_sp (std::vector< col_val > &col_val_vec, double *diags, const Select_Orbitals &orbs, const Surface_Passivation_Block_sp &surface_passivation_block_sp, double avg_Surface_shift, size_t baseindex) const

void	get_row_passivate_graphene (std::vector< col_val > &col_val_vec, const int atom_index)

virtual void	get_Matrix_row_block (std::vector< col_val > &col_val_vec, const int atom_index)
	Number of blocks. More...

	TB_Model_Slater_Koster (Parameter_Map &param_map)

Public Member Functions inherited from TB_Model
virtual void	setup ()

virtual size_t	get_nr_orbs_per_at (size_t atom=0) const

Public Member Functions inherited from Sparse_Matrix_Generator
void	dump_sparse_Matrix (const std::string &file_IA, const std::string &file_JA, const std::string &file_values)
	Support for dumping the sparse Matrix.

Public Member Functions inherited from Organize_Blocks
virtual size_t	get_DIM () const

size_t	get_range_size (size_t block_start, size_t nr_blocks) const

Public Attributes
Atom_List	atlist
	List of atoms:

Neighbor_List	neilist
	List of neighbors:

Neighbor_List	neilist_unrelaxed
	List of neighbors with unrelaxed distance vectors; use for strain correction.

TB_Parameter_List	parlist

Select_Orbitals_List	select
	Secification of how many orbitals to use on which atom.

Periodic_Vecs	periodic_vec
	Vectors for periodic boundary conditions.

Potential	potential
	Potential.

std::vector< std::vector< double > >	potential_scale_for_orbital

bool	evaluate_at_k

Vec3d	kvector

Vec3d	B_field

bool	use_peierls

bool	use_free_Zeeman

bool	use_nn2

TB_Hopping_Parameter_List	nn2_parlist

Neighbor_List	nn2_neilist

bool	without_spinorbit

bool	passivate_sp

bool	without_strain_correction

bool	passivate_graphene

double	graphene_passivation_factor

Member Function Documentation

void TB_Model_Slater_Koster::get_Matrix_row_block	(	std::vector< col_val > &	col_val_vec,
		const int	atom_index
	)

virtual

Number of blocks.

This is the important function for the interface

void TB_Model_Slater_Koster::get_row_passivate_graphene	(	std::vector< col_val > &	col_val_vec,
		const int	atom_index
	)

sqrt(3.);

void TB_Model_Slater_Koster::setup ( Parameter_Map & param_map )

virtual

Move the task of reading in parameters outside of the implementation (TB_Model can be ignorant of calling program)

Implements TB_Model.

The documentation for this class was generated from the following files:

/home/moritz/QNANO_PRODUCTION/qnano_new/include/tightbinding/TB_Model_Slater_Koster.h
/home/moritz/QNANO_PRODUCTION/qnano_new/sources/tightbinding/TB_Model_Slater_Koster.cc

Public Member Functions