[Pw_forum] frequency of NO molecule

Hong, SamPyo likedew at phys.ksu.edu
Wed Sep 6 07:27:30 CEST 2006

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
 Research Associate
 Department of Physics, Kansas State University, Manhattan, KS 66506,
 E-Mail: likedew at phys.ksu.edu   WEB:
 Phone: +1-785-532-1642           FAX:   +1-785-532-6806
 Favorite quotation: 
 "God demonstrates his own love for us in this: While we were still
sinners, Christ died for us."

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