« previous next »
Pages: [1]   Go Down

Author Topic: Electron Density  (Read 4179 times)

0 Members and 1 Guest are viewing this topic.

Offline Dipankar Saha

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 516
  • Country: in
  • Reputation: 5
    • View Profile
Electron Density
« 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

Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Electron Density
« Reply #1 on: July 13, 2020, 10:32 »
It means numerical noise around zero; 10^-22 is a pretty small number, below machine precision.
Logged
Pages: [1]   Go Up
« previous next »