DOS dependence on cell size

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morteza
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DOS dependence on cell size

#1 Post by morteza » 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.

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