QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: blessingmeshach on March 25, 2011, 19:17

Title: Error in simulating Magnetic Tunneling Junction...
Post by: blessingmeshach 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...

Title: Re: Error in simulating Magnetic Tunneling Junction...
Post by: Anders Blom 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.

Title: Re: Error in simulating Magnetic Tunneling Junction...
Post by: Nordland on March 26, 2011, 14:08

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

Title: Re: Error in simulating Magnetic Tunneling Junction...
Post by: blessingmeshach on March 28, 2011, 07:36

Thank you very much....