Zero-field splitting¶
Warning
Work in progress
- gpaw.zero_field_splitting.zfs(calc, method=1)[source]¶
Zero-field splitting.
Calculate magnetic dipole coupling tensor in eV.
- gpaw.zero_field_splitting.convert_tensor(D_vv, unit='eV')[source]¶
Convert 3x3 tensor to D, E and easy axis.
Input tensor must be in eV and the result can be returned in eV, μeV, MHz or 1/cm acording to the value uf unit (must be one of “eV”, “ueV”, “MHz”, “1/cm”).
>>> D_vv = np.diag([1, 2, 3]) >>> D, E, axis, _ = convert_tensor(D_vv) >>> D 4.5 >>> E 0.5 >>> axis array([0., 0., 1.])