UT theoretical chemistry code forum

Dear Graeme, Thank You for the reply. But since my model is Pd-Ru surface (slab) model that imitate the nanoparticle surface, the electronegativity rule seem didn't applied. The experimentalist reported that Pd should donate the electron to Ru, not Ru to Pd. This what made me confused. I am not sure...

Hi there!! I am calculating charges for Pd-Ru Surface Model but unfortunately I managed to get opposite trend as experiment, Pd will donate electron to Ru. I did as instructed in bader website but still, no luck. I hope you guys here will help me to figure out what was my problem. this is my poscar:...