[QE-users] Ph.x Raman Tensor Question

[Tang, Weilun]

Hi Dr. Giannozzi,

I think I found it. Thank you very much for your help.

Weilun Tang

Department of Materials Science and Engineering
Iowa State University

________________________________
From: Paolo Giannozzi <paolo.giannozzi at uniud.it>
Sent: Friday, January 2, 2026 1:21 AM
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Cc: Tang, Weilun <weilunt at iastate.edu>
Subject: Re: [QE-users] Ph.x Raman Tensor Question

Code "dynmat.x" should do what you need

Paolo

On 1/2/2026 12:29 AM, Tang, Weilun via users wrote:
> Hi Quantum Espresso users:
>
> I am studying the example 5 from PHonon. Below is the snippet of the
> output from ph.x.
>
> These Raman tensors correspond to the atom and different polarization.
> Is there a way to find the Raman tensor corresponds to the vibrational
> modes?
>
> Thanks for your time,
>
> Weilun Tang
>
> Department of Materials Science and Engineering
> Iowa State University
>
>
> ------------------------------------------------------------------------------------------------------
> Raman tensor (au^-1) in cartesian axis           atom      1
>   (      -0.000000000      -0.000000000       0.000000000 )          (
>     -0.000000000      -0.000000000      -0.784974138 )          (
> 0.000000000      -0.784974138       0.000000000 )          (
>   -0.000000000       0.000000000      -0.784974138 )          (
> 0.000000000       0.000000000      -0.000000000 )          (
>   -0.784974138      -0.000000000      -0.000000000 )          (
> 0.000000000      -0.784974138       0.000000000 )          (
>   -0.784974138      -0.000000000      -0.000000000 )          (
> 0.000000000      -0.000000000       0.000000000 )           atom      2
>           (      -0.000000000      -0.000000000       0.000000000 )
>       (      -0.000000000      -0.000000000       0.793396465 )
>   (      -0.000000000       0.793396465       0.000000000 )          (
>      0.000000000      -0.000000000       0.793396465 )          (
>   -0.000000000      -0.000000000       0.000000000 )          (
> 0.793396465      -0.000000000       0.000000000 )          (
>   -0.000000000       0.793396465      -0.000000000 )          (
> 0.793396465      -0.000000000       0.000000000 )          (
> 0.000000000       0.000000000      -0.000000000 )
>
>
>
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216

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