Author Topic: Error in simulating Magnetic Tunneling Junction...  (Read 4258 times)

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Offline blessingmeshach

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Error in simulating Magnetic Tunneling Junction...
« on: March 25, 2011, 19:17 »
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...

Offline Anders Blom

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Re: Error in simulating Magnetic Tunneling Junction...
« Reply #1 on: March 25, 2011, 21:00 »
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.

Offline Nordland

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Re: Error in simulating Magnetic Tunneling Junction...
« Reply #2 on: March 26, 2011, 14:08 »
All the atoms type in the electrode must also be present in the central region.

Offline blessingmeshach

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Re: Error in simulating Magnetic Tunneling Junction...
« Reply #3 on: March 28, 2011, 07:36 »
Thank you very much....