pythtb.WFArray.remove_states#

WFArray.remove_states(state_idx)[source]#

Remove specified states from the WFArray.

Added in version 2.0.0.

Parameters:
state_idxint or array-like of int

Indices of the states to remove.

Notes

  • This modifies the shape of the wfs, energies, u_nk and psi_nk arrays.

  • The indices in state_idx refer to the current ordering of states. After removal, the remaining states are re-indexed accordingly.

Examples

Remove states 0 and 2 from the WFArray

>>> wf.remove_states([0, 2])