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#31 Re: Multiwfn and wavefunction analysis » Electron density and Laplacian of electron density » 2019-10-16 05:10:08
#32 Multiwfn and wavefunction analysis » Electron density and Laplacian of electron density » 2019-10-16 03:35:56
- shenaya
- Replies: 4
Dear All,
I'm a new user and trying to perform an electron density and Laplacian electron density analysis of a Ru complex.
I have used gaussian fchk files as input and got very high unusual electron density values.
maximum electron density 152481 a.u
maximum laplacian electron density -5102806856254
I have used these keywords in Gaussian to generate input files. output=wfn density=current
Can you please explain what might I have done wrong.
Thank you
Shen