Messages

1

General Questions and Answers / slab

« on: July 3, 2014, 21:52 »

Dear friends,
I am trying to construct  tio2 rutile 110 slab.  which of these parts should I choose to create slab?

     non periodic and normal (slab)
     periodic and normal(electrode)
     periodic(bulk - like)
I have another question. Is  slab and layer the same?

2

General Questions and Answers / Re: supercell

« on: June 28, 2014, 11:36 »

thanks for your answer

3

General Questions and Answers / supercell

« on: June 24, 2014, 09:36 »

Hi everyone. I have a question. I have a problem with finding atomic
 positions  supercells of the  anatase and rutile  (1 0 1) surface. Can
 I use Nano lab software to find out atomic positions .As I am a new user of ATK , it is confusing me! How can I create a super cell?