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Hi Tian,
I have used the dev vision of Multiwfn for iterative Hirshfeld. It works perfectly.
Thanks a lot!
Thank you, Tian. I have emailed you with my input files.
Hi guys,
I am using Multiwfn to do population analysis a lot and it is really powerful! But I have trouble now.
When I was trying to perform iterative Hirshfeld on large system (70 water molecules and no other molecule), it said " Error: atmrad/O-3.rad was not prepared!" and failed. And I am not sure how to prepare O-3.rad. I generated O-3.wfn using Gaussian. Is there a way to generate o-3.rad? Or how should I fix this problem?
Thank you very much!
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