On Thursday 22 September 2005 18:09, Massimiliano Bonomi wrote: > In case of a very very flat phonon dispersion curve, do you think > i can approximate lambda as a constant as a function of q, in order > to get an extimate of lambda only evaluating it at Gamma point??
it might work; in order to be sure you should compare the results of approximate formulations of the electron phonon coefficients, that are valid for molecular solids, with the results of a full calculation. Some work on electron-phonon coefficients in cluster-assembled materials has been done in Milan at Material Science: see for instance the PhD thesis of Ivan Spagnolatti. 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
