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The intrinsic spatial resolution was investigated using both the point grid and resolution collimator measurements.
The Brillouin zones are sampled with the Γ-centered K point grid of 18×18×1.
Based on the point grid, the average resolution at 3°C and 18°C is 0.48mm and 0.52mm, respectively.
In a next step, the energy resolution was determined using a point grid acquired with a 99mTc beam source.
The reasons for the differences were mainly the backdating approach and map generalisation rather than the point grid position or sampling error.
Since the density points are defined independent of the finite element mesh, it is easy to refine the density point grid without remeshing the finite element model.
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They approximated the derivative using a nine-point grid stencil, resulting in nine unknown coefficients.
The system is a 336-atom supercell, equivalent to an 18 × 18 × 1 k-point grid.
The k-point grid of 4 × 4 × 24 and an energy cutoff of 400 eV were used for all calculations.
Other special points cannot be easily found, and they might be in the shifted k-point grid.
The Monkhorst-Pack scheme k-point grid sampling was set as 5 × 5 × 2 for the irreducible Brillouin zone.
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