Multiwfn forum

bahareh

Member

Registered: 2024-01-08

Posts: 1

Calculating HRS from Turbomole output

Dear Multiwfn people,

I discovered instructions in the software manual on how to calculate quantities associated with Hyper-Rayleigh Scattering (HRS) using Gaussian software output files. Now, I'm curious if it's possible to perform the same calculations using TURBOMOLE output files. If so, could you guide me on how to do it?

Best regards,
Bahareh

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Calculating HRS from Turbomole output

Dear Bahareh,

Sorry currently Multiwfn doesn't support calculating HRS information based on Turbomole output file.

Best,

Tian