QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ruyam on February 27, 2015, 11:24

Title: Isosurface plot
Post by: ruyam on February 27, 2015, 11:24

1. What is the physical significance of ElectrostaticDifferencePotential isosurface plot? What do we understand from the plot?

2. Changing the isovalue changes the contour. I fail to understand what this parameter means and what value of isovalue should be used to analyze the plot ?

Title: Re: Isosurface plot
Post by: ruyam on March 2, 2015, 06:16

Pls reply!

Title: Re: Isosurface plot
Post by: Umberto Martinez on March 2, 2015, 11:09

See  http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.electrostaticdifferencepotential.html
From an isosurface plot of the electrostatic difference potential (or of any 3d grid) you will simply see the points in space which have the same value of the electrostatic difference potential. You may find it useful or not.
The parameter you change is the value of the potential in eV

Another way to visualize this quantity is to plot it along a specific direction. See some usage examples here in these tutorials (http://quantumwise.com/publications/tutorials/itemlist/tag/electrostaticdifferencepotential)