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In the tutorial of quantumespresso (pwscf), the tutor demonstrated how to set up a unit cell using the parameters list below.
ibrav=2,
nat=1,
ntyp=1
Only 1 atom is enough to define this facecentered cubic. As far as I understand from this parameter, the software will know where to place 14 atoms in one cubic (8 corners and 6 face centers).
However, I was confused by the second example. The tutor only used 2 atoms to define a diamond structure (Fig 1).
ibrav=2,
nat=2,
ntyp=1
Atomic_position
Si 0.0 0.0 0.0
Si 0.25 0.25 0.25
If the first Si was considered as the atoms whom should be placed in the 8 corners and 6 face centers in one cubic, how does the software know where to place the second Si? How does the software distinguish the diamond structure from fluorite structure (Fig2)?