QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: subu on September 21, 2020, 09:24

Title: Calculation of Mulliken population
Post by: subu on September 21, 2020, 09:24

How to calculate charge density from mulliken population ?

Title: Re: Calculation of Mulliken population
Post by: Aadhityan on September 22, 2020, 08:58

If you means the electron density...Then, it can be calculated from script generator directly.

Title: Re: Calculation of Mulliken population
Post by: subu 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?