QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: davalenciah on January 21, 2010, 18:02

Title: error with Trasmission spectrum
Post by: davalenciah on January 21, 2010, 18:02

I was  doing the calculation of Transmission spectrum to Nananotube of boron nitrogen and
i got this message

Traceback (most recent call last) :
File "/tmp/tmpKEPopJ.nl", line 406, in ?
      runtime_parameters=runtime_parameters
ATKError: #SpeciesContainer::attributes (Atom const & at) : species not found
Terminated Abnormally

could someone help me?

Thanks

Title: Re: error with Trasmission spectrum
Post by: Anders Blom on January 21, 2010, 21:09

Can you attach the script? I've seen this before, just can't recall it, it's rare, but seeing the script probably I'll remember :)