Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 Multiwfn and wavefunction analysis » Trying to generate a Surface ElectroPotential Colored Map » 2020-05-09 21:49:41

edulsa
Replies: 1

Dear Developers and Users

It is my first entry in this forum so, I would like to thank Tian Lu for his efforts to create, maintain, and develop Multiwfn so good and useful as it has been.

I could compute a Surface ElectroPotential using the 3.7 version without problems: it was a long time calculation (14 hours in my laptop), but I could finish it. When I asked to see the created surface (it was beautiful) but it was a one-color (greenish with some parts in slightly modified). I was expecting for a colored map (colors varying from dark blue until hot red, for negative and positive values), like is showed in several papers and textbooks. Please, could you point me what I did wrong or which must be my next steps to conclude this task? I mean, must I follow 4.A.13 example, using VMD as an "auxiliary" software?

I thank you in advance for your attention

My best regards

Eduardo


mesp-1.jpg

Board footer

Powered by FluxBB