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#1 Re: Multiwfn and wavefunction analysis » Atomic effective volume, free volume and polarizability » 2023-06-21 08:21:10

Dear Tian,

Thank you very much for your quick response. That was very useful.

With best regards,

Naser

#2 Multiwfn and wavefunction analysis » Atomic effective volume, free volume and polarizability » 2023-06-21 07:37:32

naser
Replies: 2

Hi All,

I am trying to calculate atomic effective and free volume. I have wondering how to get the wavefunction file for carbon, hydrogen, etc. Is there any website, I can download from? Or, what would be recommended software to generate them?

Thanks in advance for your help.

With regards,

Abu

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