Dear All, Good time. I want to compute the charge transfer from an atom to the other in an ensemble quantitatively. As far as I am concerned I have two choices:
1. Using Local Density of states (LDOS). 2. Using *Mulliken population* analysis. Please let me know if any of the above mentioned options work? Also please suggest any other way to compute charge transfer from among specific atoms. Thank you in advance. -- Yours Sincerely, Kiarash Hosseini Mechanical Engineering MSc Tehran Iran
