On Thu, 2014-04-17 at 17:18 -0700, Hongliang Xin wrote: > What bothers me a little bit is the definition of phonon linewidth > (Eq. 2) in PHonon package users' guide. I did not see any difference > with the definition of actual vibrational dephasing rate. I tried to > go through the code elphon.f90, but did not convince myself this 2pi > factor is in the calculation or not.
once upon a time I verified that all factors were consistent with the formulas now reported in the user guide. I remember that it took me some time before I realized that "a factor M^?1/2 is hidden in the definition of normal modes as used in the code" (line after Eq.5). Not sure about the 2*pi factor, but it might be hidden into nu = 2*pi*omega Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
