On Aug 1, 2009, at 11:04 , xirainbow wrote: > What the meaning of "force constant between one atom and its self"?
what is the meaning of "force constants"? ( hint: second derivative of the energy with respect to atomic displacements ) --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
