Messages

1

General Questions and Answers / Re: amorphous materials problem

« on: September 22, 2009, 13:05 »

If the system is finite, then the short answer is yes.
If you can accept having some kind of long range periodicity in the system, then it is just a matter of setting up the proper cell, and then the answer would be yes.

Thank you very much!
The system is finite about 100 atoms, without long periodicity. For example，whether we could calculate the electric conductivity of amorphous Hg1-xCdxTe, and how?

2

General Questions and Answers / amorphous materials problem

« on: September 22, 2009, 10:53 »

Could we calculated the electronic structure and other poperties of the amorphous materials with ATK?
Thank you!