General forum for EasySpin: questions, how to's, etc.
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sonia_la
- Newbie
- Posts: 1
- Joined: Wed Mar 13, 2024 8:23 am
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by sonia_la »
Hello I have a question related to the simulation of Cu complex.
In the "chili" documentation it is specified that "It is somewhat inaccurate for transition metal complexes".
What can we use instead? And what kind of mistakes would it involve to use it anyway?
Thank you in advance.
Sonia
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katarkon
- Local Expert
- Posts: 186
- Joined: Mon Jan 12, 2015 4:01 am
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by katarkon »
Please, give the full system which You try to simulate.