[Pw_forum] Polarized Infrared Intensities

[Vic Bermudez]

Hello,

	I have a question about the IR intensities that are returned by Dynmat.x
following a Ph.x calculation. I am assuming that these relate to
normal-incidence transmission for radiation propagating along the z-axis. My
system is not isotropic. How would I get the corresponding intensities for
light traveling along the x- or y-axes ? In looking at the Dynmat.f90 source
code I see that there is an input variable called "axis", but this
apparently applies only to one-dimensional systems according to information
in the Comment lines. I should add that I'm running Dynmat.x with the q(3)
input variable unspecified since I want only TO, and not LO, modes for
comparison to IR transmission data. Is this the correct thing to do ?
	Thank you in advance for your help.

	Typical Ph.x Input:
title_line='Phonon calc. for XXX #166105 relax'
&INPUTPH
outdir='/lustre/cmf/scratch/b/bermudez/XXX_167926',
iverbosity=0,
epsil=.TRUE.,
trans=.TRUE.,
tr2_ph=1e-14,
alpha_mix(1)=0.7,
! nmix_ph=6,
max_seconds=8.63700d5,
recover=.true.
/
0.0 0.0 0.0

	Typical Dynmat.x Input:
&input
fildyn='/lustre/cmf/scratch/b/bermudez/Dyn_Input/matdyn',
asr='crystal'
/


Victor M. Bermudez
E-mail: bermudez at alum.mit.edu