QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: hung on October 19, 2010, 18:30

Title: why ATK not calculates with chanel doping?
Post by: hung on October 19, 2010, 18:30

Hello All!
I have a problem. I constructed a garphene chanel doping by Nitrogen and try calculate T(E). When VNL run, it show error "
This application has requested the Runtime to terminate it in an unusual way.
Please contact the application's support team for more information.
NanoLanguageScript execution failure" can anyone help me? I use ATK 10.8 with trial version.

Title: Re: why ATK not calculates with chanel doping?
Post by: Anders Blom on October 19, 2010, 21:12

Most likely you have run out of memory, esp considering your script uses the multigrid method. But the good news is that you don't need such a high mesh cut-off as 50 H for the Huckel method. The default is 10, start with that and see how it goes.