Dear all,
I have a question about the symmetry in crystals. We have done
calculations on a supercell in which we substituted an impurity atom for
a pristine atom. The symmetry of crystal is P1 (identity only) according
to Wien2k.
We used a k-points grid 18x9x5 (=810 k-points) but the number
symmetry and k-mesh
Dear all,
I have a question about the symmetry in crystals. We have done
calculations on a supercell in which we substituted an impurity atom for
a pristine atom. The symmetry of crystal is P1 (identity only) according
to Wien2k.
We used a k-points grid 18x9x5 (=810 k-points
2 matches
Mail list logo