QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Nayab Shiraz on March 23, 2020, 23:48

Title: Isovalue
Post by: Nayab Shiraz on March 23, 2020, 23:48

Hi

Can you please explain how to select isovalue for electron density visualization? and what does isovalue signify?
From what I understand electron density is a function of three spatial variables and hence a 3D sphere, each isovalue represents the surface of constant radius on that sphere. Please correct me if I am wrong here.

Title: Re: Isovalue
Post by: Petr Khomyakov on March 27, 2020, 14:31

Isosurface is a surface where the value of particular quantity (e.g., electron density or whatever grid object) is constant, given by isovalue.