Would you please let me know what the energy ordering of the Ni-3d sub
orbitals (dxz, dyz, dxy, d(x2-y2), dz2) is in the Ni FCC crystal
structure?
Sorry, for this, I don't know what your looking for. Someone else might
know.
The octahedral (Oh) splitting diagram?
Dear Wien2kuser,
Would you please let me know what the energy ordering of the Ni-3d sub
orbitals (dxz, dyz, dxy, d(x2-y2), dz2) is in the Ni FCC crystal structure?
If am I am not wrong the point group symmetry of the Ni in the FCC
structure is D3d.
Thanks.
Regards,
Alex
Dear Sirs,
During the DOS calculation, the integration of the curve is automatically
written in the case.outputt file.
When one is interested in the integral of a specific energy interval, the
smaller the DE in case.int, the more accurate the energy interval will be (and
so the better the
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