[Pw_forum] frequency of NO molecule

[Hong, SamPyo]

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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