Dear All,
Which coordinate applied to perform Raman susceptibility calculation?
These are my support information.
(1) From dataset#5 of tnlo2 tutorial (as shown below) and description of rfdir parameters, can I summerize that: genneraly, Raman susceptibility performed in coordinate of primitive vectors.
(2) In cubic AB crystal (for example, PHYSICAL REVIEW B 71, 125107), these primitive vectors had been written in term of cartesian coordinate ?
#DATASET5 : 3DTE calculation
#***************************
getden5 1
get1den5 4
getwfk5 2
get1wf5 4
nband5 4
kptopt5 2
optdriver5 5
rf1elfd5 1
rf1phon5 1
rf1atpol5 1 2
rf1dir5 1 1 1
rf2elfd5 1
rf2dir5 1 1 1
rf3elfd5 1
rf3dir5 1 1 1
With Regards,
Keerati Maneesai
Coordinate applied to perform Raman susceptibility cal ?
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