[QE-users] K path of supercell
Priya Shrivastava
priyashrivastava16 at gmail.com
Fri Sep 28 08:50:21 CEST 2018
Dear all ,
Please bear with me ( i m newbie) .I try to dope an fcc unit cell by making
supercell of 1x1x2. So the symmetry of supercell becomes R3m while unit
cell has fm-3m symmetry so is it correct that BZ would change for my
supercell and i can no longer use the k path that is provided for fcc unit
cell.
if this is true what should i do because i would like to compare the band
structure of unitcell with supercell to see impurity effect.
I tried to read kittel and several other things but i couldn't come to any
conclusion.please help.
Thanks,
Priya
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