sisl.physics.electron._electron_State

class sisl.physics.electron._electron_State[source]

Methods

`Sk`([format])	Retrieve the overlap matrix corresponding to the originating parent structure.
`norm2`([projection])	Return a vector with the norm of each state \(\langle\psi\|\mathbf S\|\psi\rangle\)
`spin_moment`([projection])	Calculate spin moment from the states
`wavefunction`(grid[, spinor, eta])	Expand the coefficients as the wavefunction on grid as-is

Sk(format=None)[source]

Retrieve the overlap matrix corresponding to the originating parent structure.

When self.parent is a Hamiltonian this will return \(\mathbf S(\mathbf k)\) for the \(\mathbf k\)-point these eigenstates originate from.

Parameters:: format (str, optional) – the returned format of the overlap matrix. This only takes effect for non-orthogonal parents.

norm2(projection='diagonal')[source]

Return a vector with the norm of each state \(\langle\psi|\mathbf S|\psi\rangle\)

\(\mathbf S\) is the overlap matrix (or basis), for orthogonal basis \(\mathbf S \equiv \mathbf I\).

Parameters:: projection (Literal['matrix', 'ij', 'diagonal', 'diag', 'ii', 'trace', 'sum', 'hadamard', 'basis', 'hadamard:atoms', 'atoms']) – whether to compute the norm per state as a single number or as orbital-/atom-resolved quantity