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Error in simulating Magnetic Tunneling Junction...

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blessingmeshach:
When I simulate my Magnetic Tunnel Junction model, I get the following error:

ATKError: # SpeciesContainer::attributes(Atom const & at) : species not found.


Can anybody tell me the reason for the error...

Anders Blom:
That's a rather special error message from an old version of ATK. We can't help without more details. I think it has something to do with atom pair matching, perhaps between electrodes and central region, or when restarting from a converged calculation, but where the atoms don't match, or something like that.

Nordland:
All the atoms type in the electrode must also be present in the central region.

blessingmeshach:
Thank you very much....

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