[Pw_forum] Extracting charge density difference

[Yusuf Zuntu]

Dear PWSCF USERS, I am trying to extract charge density difference of single Metal adatom/dimer on graphene in two dimensional structure. I can see that the spanning vectors for specifying the plane has three coordinates only, The plane I am planning to draw in perndicular direction (hexagonal structure) has four coordinates, (10-10), (hkil), i = -1. Can anyone help
me in this calculations.Moreover, can xcrysden be of any help in visualizing this structure. thanks for your anticipated response Yusuf Zuntu

Research student

University Putra Malaysia





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