Error in simulating Magnetic Tunneling Junction...

[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....