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forum:data:2021:nio_crystal_field_groundstate_example [2021/04/14 19:20] (current) – Created from the form at forum:start Charles Cardot
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 +====== NiO Crystal Field Groundstate example ======
 +;;#
 +asked by [[mailto:ccardot3@uw.edu|Charles Cardot]] (2021/04/14 19:20)
 +;;#
 +== ==
 +<WRAP center box 100%>
 +Perhaps I am misunderstanding the goal of the NiO Crystal Field Groundstate example, but in the comments it states "-- tenDq in NiO is 1.1 eV as can be seen in optics or using IXS to measure d-d excitations", but then it assigns a 0 value to tenDq. From the output I noticed this gives almost 20 degenerate ground states, but I see in future examples that it states there should only be 3. Is this perhaps a typo or is part of the example calculating the groundstate for zero crystal field contribution?
 +</WRAP>
 +
 +~~DISCUSSION|Answers~~
  
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