Topics

1

General Questions and Answers / Regarging the calculated results

« on: June 22, 2011, 07:26 »

Dear Sir,
I have done the calculation of electronic properties of nanowires but the electronic band structures of few nanowires are showing metallic behavior whereas the same material nanowire is showing semiconducting nature as given in an article ( Phys. Rev.B 72, 075419 (2005)). Can you please tell me the region , why ATK shows such variation.

2

General Questions and Answers / Hw to make nanowires?

« on: April 13, 2011, 07:47 »

Dear Sir,
I have just started working with ATK 11.2.1 version and facing the problem in nanowires calculation. The error is given below:
"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 you please tell me the solution of this error.

With Highest Regards
Neha