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

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jiangx3
Posts: 32
Joined: Fri Apr 30, 2010 9:33 pm

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

Post by jiangx3 » 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
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mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: how to get 'partial density of states'

Post by mverstra » 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
Matthieu Verstraete
University of Liege, Belgium
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jiangx3
Posts: 32
Joined: Fri Apr 30, 2010 9:33 pm

Re: how to get 'partial density of states'

Post by jiangx3 » 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
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