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« on: June 14, 2024, 14:08 »
Dear All,
When calculating the LSCC U values of VS2, the results are as follows (Calculation Converged). What do the corresponding values of the two 3d orbits mean?
+------------------------------------------------------------------------------+
| Calculated LSCC U values (in eV) |
| l = Thomas Fermi screening length (in Angstrom) |
+------------------------------------------------------------------------------+
| 0 V (l=0.29) 3d: 6.02 3d: 1.49 |
+------------------------------------------------------------------------------
Thank you for your help.