Messages

1

General Questions and Answers / Re: ATKError: bad allocation

« on: May 24, 2010, 07:39 »

I also had this problem. I redo the calculation and at the same time check the system efficiency (CPU and memory), but the memory used for calculation is far below required. I have 12 Gb memory, but
this problem still occurs. Why that?

2

General Questions and Answers / How to construct a molecule on graphene?

« on: May 20, 2010, 08:51 »

 
Hi everyone!
I am a new user and encounter a fundamental question here:
how can one construct a graphene unit cell with a physisorbed melamine molecule in VNL?
I would appreciate any kinds of suggestion.