System¶

class pysktb.System(structure, orbitals, parameters, scale_params=None)¶

atomics structures and tight_binding parameters

Methods:

`calc_volume`(atom_i)	calc volume of the tetrahedron
`chk_scale_param_key`()	check if the exponent parameters are consistent with the hopping parameters
`get_all_iter`()	return all orbitals
`get_all_orbitals`()	return all orbitals
`get_hop_params`(atom_1_i, atom_2_i, image_i)	return parameters dictionary
`get_kpt_len`(kpts_path, lat_mat)	return kpts_len
`get_kpt_path`(sp_kpts[, kpt_den])	return list of kpoints connecting sp_kpts :param sp_kpts: list of k-points paths containing special kpoints [n_path, n_sp_kpt, 3] :param kpt_den: number of k-points btw. sp_kpts.
`get_kpts`(sp_kpts, kpt_den)	return kpts, kpts_len, spl_pnts
`get_onsite_term`(atom_i)	calc onsite term
`get_param_key`()	return all possible keys for hopping parameters
`get_soc_mat`()	get the spin-orbit coupling matrix
`set_orbitals`()	set orbitals for each atom

chk_scale_param_key()¶: check if the exponent parameters are consistent with the hopping parameters

get_hop_params(atom_1_i, atom_2_i, image_i)¶: return parameters dictionary

get_kpt_path(sp_kpts, kpt_den=30)¶

return list of kpoints connecting sp_kpts :param sp_kpts: list of k-points paths containing special kpoints

[n_path, n_sp_kpt, 3]