[QE-users] Infrared Intensity - unexpected values

Paolo Giannozzi paolo.giannozzi at uniud.it
Fri Sep 22 12:11:09 CEST 2023


On 9/19/23 20:37, ivanpck-cetmic.unlp.edu.ar via users wrote:

> There is no problem or error message with that calculations, but the 
> results for the dynmat.out are strange and I don't know how to solve it. 
> I mean, the third column, named IR, gives me values greater than 100 
> (below). Could somebody help me?

what is the expected order of magnitude of IR intensities for the 
material you are studying?

Paolo
-- 
Paolo Giannozzi, DMIF, Univ. Udine, Italy
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