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#1 Re: Multiwfn and wavefunction analysis » How to report the GCDA results in publication? » 2019-03-24 22:47:41

Dear Tian Lu,

Thank you very much for your reply. I really like Multiwfn, I have cited Multiwfn in my previous paper. It would be more useful if you can add ETS-NOCV calculation in this software because only ADF can do this calculation. Further, it would be more useful if it can produce high-resolution graphics.

With best regards,
Shanti

#2 Multiwfn and wavefunction analysis » How to report the GCDA results in publication? » 2019-03-23 19:58:02

patrashantigopal
Replies: 3

Dear Admin,

While reporting the results of the GCDA analysis I want to tally the results with some references which have used Multiwfn. I shall be very helpful if you kindly give me some references. Moreover, do I need to multiply the values of d and b with 2 to adjust the values with Frenking and coworkers? How Prof. Frenking responded to your method (I am just curious since he is the developer of the method)?

Looking forward.

Best regards,
Shanti

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