Multiwfn forum

linda

Member

Registered: 2020-08-27

Posts: 3

contour plots of laplacian

Hi

I am trying to plot the Contour maps of the Laplacian distribution of electron density in the plane for NHC. I'm attaching herewith the plot i obtained. I would like to rotate the molecule in this plot 90degree to the right. How can I rotate this?

Thank you in advance for the reply
Linda

Last edited by linda (2020-08-27 16:09:19)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: contour plots of laplacian

This point is mentioned in Section 3.5.2 of Multiwfn manual, you can use option -1 to set rotation angle

For the modes 4 and 5, if you find the content is skewed in the final graph, or the interesting part is not located at the center of the graph, you can choose "-1: Set translation and rotation of the map for plane types 4 and 5" before selecting mode 4 or 5. For example, if you find the content in the graph your previously plotted should be translated by (-3,1.5) Bohr and then rotated by 35 degree , then in this option you should first input -3,1.5 and then input 35, the resulting graph will meet your expectation. (A practical instance of using this option was posted on http://bbs.keinsci.com/thread-11037-1-1.html)