[Pw_forum] frequency of NO molecule

[Clark Lee]

Yes ! I want to know any methods for solving this problem too. Anyone know
the answer?

On 9/6/06, Hong, SamPyo <likedew at phys.ksu.edu> wrote:
>
>
> Hello, everyone,
>
> I have a supercell of 32 atoms, 2 of which are a NO molecule adsorbed on
> a metallic surface of 30 atoms.
> I want to calculate frequencies of adsorbed NO molecule only, not those
> for substrate atoms.
>
> How can I do this?
>
>
> My sincere thanks in advance.
>
> Sampyo Hong
> ______________________________
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> USA.
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-- 
Standing on the shoulders of Newton
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