QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: divyaling on March 19, 2018, 09:16

Title: difference between electron density and charge density??
Post by: divyaling on March 19, 2018, 09:16

Is the electron density and charge density are same in ATK???

Title: Re: difference between electron density and charge density??
Post by: Petr Khomyakov on March 19, 2018, 11:41

It is not the same. The electron density is the number of electrons per volume, so that you will have to multiply it by the elementary charge, e<0, to get the corresponding charge density. In atomic units, e=-1.