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
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
