« previous next »
Pages: [1]   Go Down

Author Topic: Calculation of Mulliken population  (Read 4127 times)

0 Members and 1 Guest are viewing this topic.

Offline subu

  • New QuantumATK user
  • *
  • Posts: 2
  • Country: in
  • Reputation: 0
    • View Profile
Calculation of Mulliken population
« on: September 21, 2020, 09:24 »
How to calculate charge density from mulliken population ?
Logged

Offline Aadhityan

  • Regular QuantumATK user
  • **
  • Posts: 13
  • Country: in
  • Reputation: 0
    • View Profile
Re: Calculation of Mulliken population
« Reply #1 on: September 22, 2020, 08:58 »
If you means the electron density...Then, it can be calculated from script generator directly.
Logged

Offline subu

  • New QuantumATK user
  • *
  • Posts: 2
  • Country: in
  • Reputation: 0
    • View Profile
Re: Calculation of Mulliken population
« Reply #2 on: September 22, 2020, 23:33 »
I mean to say how can i calculate charge density with mulliken population analysis by viewing text representation data?
Logged
Pages: [1]   Go Up
« previous next »