[Pw_forum] frequency of NO molecule
likedew at phys.ksu.edu
Wed Sep 6 07:27:30 CEST 2006
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.
Department of Physics, Kansas State University, Manhattan, KS 66506,
E-Mail: likedew at phys.ksu.edu WEB:
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