Dear users, I am interested in simulation of Graphene ribbons doped with Fe. How to appropriately set following variables for above system:
SpinPolarized true NonCollinearSpin true or false??? FixSpin true or false?? Or when to use this variable? TotalSpin what is the appropriate value? Kindly provide suggestions, I will be highly thankful for your time and suggestions. Thank u so much... With Regards Anaya