Dear All

I am a new user of material studio using Dmol3 .But i don't know how to calculate the charge transfer and magnetic moment  between adatom ant a crystal  according to my resultats I have attached below can we say that  the potassium atom has given  0.980 electron to the graphene  surface and the dipole of the system 4x4 supercell of graphene with potassium on top is equal to o.5739 atomic units.. Please see the attached file  for my output .

I have use a K on top on graphene. Thank you again for any help regarding my request.

Best regards

Omar Faye