[Pw_forum] about neb

[Paolo Giannozzi]

On Monday 07 June 2004 07:09, Wu Rongqin wrote:

> is it possible to calculate the norm modes of SiH4 absorbed on a surface?

of course it is, but it may be difficult to get reliable estimates for typical
measured quantites, i.e. changes in frequencies and cross sections
upon adsorption 

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy