[QE-users] phonon calculation : Vibrational frequency with no intensity

[Paolo Giannozzi]

On Tue, May 5, 2020 at 9:32 PM Abdulla Bin Afif <abdulla.binafif at ntnu.no>
wrote:


>      Reading Dynamical Matrix from file dmat.TMA
>
>     ...Force constants read
>
>      ...epsilon and Z* not read (not found on file)
>

here is the answer: no effective charges (epsil=.true. in the phonon input,
ONLY FOR INSULATORS), no IR activity

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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