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 > ______________________________ > Research Associate > Department of Physics, Kansas State University, Manhattan, KS 66506, > USA. > E-Mail: likedew at phys.ksu.edu WEB: > http://www.phys.ksu.edu/personal/likedew > 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." > _______________________________ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Standing on the shoulders of Newton -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20060906/48f6f6e3/attachment.htm
