- #1
PHY-101
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- 0
Dear all,
I am trying to reproduce the results from a paper in computational physics and it says that for their simulation, they used a computational supercell of palladium of 27 atoms in a periodic system.
How can there be 27 atoms considering that in solid state, the palladium has a fcc structure and hence, that there is supposed to be 4 atoms per unit cell?
Anyone can help me with this?
I am trying to reproduce the results from a paper in computational physics and it says that for their simulation, they used a computational supercell of palladium of 27 atoms in a periodic system.
How can there be 27 atoms considering that in solid state, the palladium has a fcc structure and hence, that there is supposed to be 4 atoms per unit cell?
Anyone can help me with this?