DOS dependence on cell size
Posted: Thu Nov 14, 2019 11:53 pm
Hi
My DOS results for pure Ni unit cell (Ni slab) is different from the case the unit cell repeated to make a 3*3*1 super cell. I'm wondering what the reason is? The DOS at fermi level for the supercell is is almost three times as large as it for the unit cell.
My DOS results for pure Ni unit cell (Ni slab) is different from the case the unit cell repeated to make a 3*3*1 super cell. I'm wondering what the reason is? The DOS at fermi level for the supercell is is almost three times as large as it for the unit cell.