pythtb.TBModel.add_orb

TBModel.add_orb(orb_pos)

Adds a new orbital to the model with the specified coordinates.

The orbital coordinate must be given in reduced coordinates, i.e. in units of the real-space lattice vectors of the model. The new orbital is added at the end of the list of orbitals, and the orbital index is set to the next available index.

Added in version 2.0.0.

Parameters:

orb_posarray_like, float

The reduced coordinates of the new orbital of length dim_r. If orb_pos is a single float or int, it will be converted to a 1D array (dim_r must be 1).