Dear All
I want to calculate the magnetic moment of sulfur doped graphene with Dmol3 but i dont get the right way to calculate it . What is the role of DFT-D correction is applicable, in which case we have to use this correction.
Best regards
Omar Faye
I want to calculate the magnetic moment of sulfur doped graphene with Dmol3 but i dont get the right way to calculate it . What is the role of DFT-D correction is applicable, in which case we have to use this correction.
Best regards
Omar Faye