Parameter: ibasis

Definition

Key control flag, it is used to specify the source for natural basis which is the eigenstate of crystal field splitting plus spin-orbital coupling.

Type

Integer

Default value

1

Component

Only for the JASMINE component.

Behavior

Now there are two possible values for the ibasis parameter:

• ibasis = 1, make natural basis inside of this program. The code will build crystal field splitting $\Delta_{\alpha,\beta}$ and spin-orbital coupling terms $\Delta_{\text{SOC}}$ at first, and then use them to generate the transformation matrix $\mathcal{T}_{\alpha,\beta}$ and on-site impurity level $E_{\alpha,\beta}$.

• ibasis = 2, make natural basis outside of this program. The code will read the on-site impurity level $E_{\alpha,\beta}$ (in the atom.emat.in file) and transformation matrix $\mathcal{T}_{\alpha,\beta}$ (in the atom.tmat.in file) from external files directly. See also atom.emat.in and atom.tmat.in for more details.

Comment

See also isoc and lambda parameters for more details.