[Pw_forum] electron-phonon coupling

[Paolo Giannozzi]

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
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