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.
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