5.11.1. gth.GTH¶
- class eminus.gth.GTH(scf=None)[source]¶
GTH object that holds non-local projectors and parameters for all atoms in the SCF object.
- Keyword Arguments:
scf – SCF object.
Attributes
Dictionary with GTH parameters per atom type.
Number of projector functions for the non-local potential.
Index matrix to map to the correct projector function.
Atomic-centered projector functions.
- GTH¶
Dictionary with GTH parameters per atom type.
- NbetaNL¶
Number of projector functions for the non-local potential.
- betaNL¶
Atomic-centered projector functions.
- prj2beta¶
Index matrix to map to the correct projector function.