QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: GJK on August 4, 2014, 18:25

Title: Dipole Matrix-reg
Post by: GJK on August 4, 2014, 18:25

Dear Dr.Anders,

In using the script provided in this link http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.electrondifferencedensity.html, I am getting the dipole moment along with quadrupoles for my bulk system of GNR.

But the dipole moment is resulted as a negative value in the Z direction.My question is whether it is the modulus value (or) the real value.Because the dipole moment has to be always positive right???

Title: Re: Dipole Matrix-reg
Post by: Anders Blom on August 4, 2014, 20:43

The dipole moment is a vector. Each component of the vector can have any sign, it just indicates the direction of the moment.

Title: Re: Dipole Matrix-reg
Post by: GJK on August 5, 2014, 14:39

Thanks Dr.Anders,