<![CDATA[Multiwfn forum / Calculating HRS from Turbomole output]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=934 Tue, 09 Jan 2024 05:35:53 +0000 FluxBB <![CDATA[Re: Calculating HRS from Turbomole output]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3573#p3573 Dear Bahareh,

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

Best,

Tian

]]> Tue, 09 Jan 2024 05:35:53 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3573#p3573 <![CDATA[Calculating HRS from Turbomole output]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3571#p3571 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

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