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#1 2022-03-19 08:09:29

Abdullah
Member
Registered: 2021-01-28
Posts: 31

frequency scaling factor sclZPE for Shermo

Hi, following this guide http://sobereva.com/391 , we get two correction factors i.e., frequency correction factor and ZPE correction factor. Which one of these should be put in sclZPE for Shermo?

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#2 2022-03-20 22:08:28

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,611
Website

Re: frequency scaling factor sclZPE for Shermo

You should use the latter one.

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#3 2022-04-13 23:26:02

EspenEriksrud
Member
From: Trondheim, Norway
Registered: 2022-04-13
Posts: 1
Website

Re: frequency scaling factor sclZPE for Shermo

The last one.

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