Dipole Matrix-reg

[GJK]

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???

[Anders Blom]

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

[GJK]

Thanks Dr.Anders,