For face-centered cubic ( fcc ) and body-centered cubic ( bcc ) lattices, the primitive lattice vectors are not orthogonal.
22.
A 2D data point is defined by the length of a reciprocal lattice vector and its ( acute ) angle with another reciprocal lattice vector.
23.
A 2D data point is defined by the length of a reciprocal lattice vector and its ( acute ) angle with another reciprocal lattice vector.
24.
The magnitude of the reciprocal lattice vector is given in reciprocal length and is equal to the reciprocal of the interplanar spacing of the real space planes.
25.
Angle brackets are used when you don't want to refer to a specific lattice vector, but to a symmetrically equivalent class of lattice vectors.
26.
Angle brackets are used when you don't want to refer to a specific lattice vector, but to a symmetrically equivalent class of lattice vectors.
27.
However, in these cases the Miller indices are conventionally defined relative to the lattice vectors of the cubic supercell and hence are again simply the Cartesian directions.
28.
Another way to mitigate the effect of Pulay stress on the equilibrium cell shape is to calculate the energy at different lattice vectors with a fixed energy cutoff.
29.
The degree of translation is then added as a subscript showing how far along the axis the translation is, as a portion of the parallel lattice vector.
30.
With the Fourier series coefficients being the K numbers subscripted by m, n respectively, and the reciprocal lattice vector given by \ vec { G }.
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