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
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
