[Pw_forum] InfraRed intensities

[Manish Jain]

Hello

I am interested in calculating IR spectra for an insulator. Is the following 
procedure for calculating IR spectra (intensities and position of peaks) 
correct?

a) Calculate the scf charge density and wavefunctions at a minimized energy 
structure.
b) Do a phonon calculation on a grid of q points with epsil set to true.
c) Use dynmat.x to compute the cross sections of individual modes.
d) Then combine them all using some means to get an IR spectra???

Any help is appreciated.

Thanks,
Manish

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