QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Pancho on February 16, 2012, 06:22

Title: How to calculate PDOS in ATK?
Post by: Pancho on February 16, 2012, 06:22

I need to do some calculations about PDOS, but I have no idea of how can I realize it, any one who can help me with that? I need some scripts. By the way, some explanations about PDOS is needed if could supply.
Thanks in advance.
Best wishes.

Title: Re: How to calculate PDOS in ATK?
Post by: Nordland on February 16, 2012, 08:21

If you calculate the density of states, you can projected it onto any subset of atoms or orbitals once it is done.
You can do this in VNL.

Title: Re: How to calculate PDOS in ATK?
Post by: Pancho on February 19, 2012, 10:16

Thanks very much for the reply. But can you tell me the details about how to deal with it in VNL?