PseudoPotentialProjectorShift

class PseudoPotentialProjectorShift(s_orbital_shift=None, p_orbital_shift=None, d_orbital_shift=None, f_orbital_shift=None, g_orbital_shift=None)

Class for representing projector shift energies for each angular momentum.

Parameters:

• s_orbital_shift (PhysicalQuantity of type energy.) – The projector shift of the s orbitals.
  Default: 0.0 * eV.

• p_orbital_shift (PhysicalQuantity of type energy.) – The projector shift of the p orbitals.
  Default: 0.0 * eV.

• d_orbital_shift (PhysicalQuantity of type energy.) – The projector shift of the d orbitals.
  Default: 0.0 * eV.

• f_orbital_shift (PhysicalQuantity of type energy.) – The projector shift of the f orbitals.
  Default: 0.0 * eV.

• g_orbital_shift (PhysicalQuantity of type energy.) – The projector shift of the g orbitals.
  Default: 0.0 * eV.

dOrbitalShift()

Returns:

The project shift for the d-orbitals.

Return type:

PhysicalQuantity

fOrbitalShift()

Returns:

The project shift for the f-orbitals.

Return type:

PhysicalQuantity

gOrbitalShift()

Returns:

The project shift for the g-orbitals.

Return type:

PhysicalQuantity

pOrbitalShift()

Returns:

The project shift for the p-orbitals.

Return type:

PhysicalQuantity

sOrbitalShift()

Returns:

The project shift for the s-orbitals.

Return type:

PhysicalQuantity

uniqueString()

Return a unique string representing the state of the object.