non resonant raman cross-section is defined in terms of the derivative of the static dielectric constant wrt phonon displacement... in metals epsilon is infty and the derivative is not well defined... or at least no one has worked out a well defined espression
stefano On 07/08/2011 11:18 AM, jinxi wrote: > Dear all: > > Why DFPT methods can't calculate Raman cross section for metals? > What method should I employ for calculating the coefficients for metals? > > Many Thanks. > > Xi Jin > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
