QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Dipankar Saha on July 11, 2020, 17:58

Title: Electron Density
Post by: Dipankar Saha on July 11, 2020, 17:58

Hi,

'Electron Density' plot color-bar is showing a range (say)_

-5.2 * 10^-22     to     4.8   (Ang^-3).

Should not the lower limit be zero? What does this negative number mean?

Best_
Dipankar Saha

Title: Re: Electron Density
Post by: Petr Khomyakov on July 13, 2020, 10:32

It means numerical noise around zero; 10^-22 is a pretty small number, below machine precision.