ABINIT Discussion Forums

Posted: **Wed Jun 23, 2010 5:14 pm**

Dear All,

I want to study the structure of methane on graphene, and I want to know the partial density of states of graphene and methane separately. How I can realize that? I mean which input parameters should I use?

Thanks in advance for your replying!

Best regards,
Xueping Jiang

Posted: **Mon Jun 28, 2010 8:30 am**

Try prtdos 3, and choose appropriate atoms with natsph/iatsph. You will also get l-resolved DOS for the same price.

matthieu

Posted: **Mon Jun 28, 2010 9:30 pm**

Dear Matthieu,

Thanks so much for the reply! I know how to do it now.

Best regards,
Xueping Jiang

ABINIT Discussion Forums

[SOLVED] how to get 'partial density of states'

[SOLVED] how to get 'partial density of states'

Re: how to get 'partial density of states'

Re: how to get 'partial density of states'