[Pw_forum] changing total energy due to changing ibrav

[Tram Bui]

Dear QE Users,
       I ran the calculation for a simple 1x1x1 unit cell SiC (zinc blend
structure) . The calculated total energy for when ibrav=2 (two atoms per
cell) is different from when ibrav=0 (8 atoms per cell). Would you give me
some information on why the total energy changes?

Thank you,

Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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