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Two types of calculation (LES calculation and DES calculation with the same grid) were performed.
The zonal grid calculations required only a fraction of the CPU time required for the single zone grid calculation with the same near-wall grid density.
The residual error in pressure is just about 3 GPa, whereas it is about 20 GPa for a plain AI-PIMD calculation with the same number of beads.
Unlike common algorithms for numerical integration, this algorithm allows the calculation of all frequencies at the same time at a high speed using a regular frequency interval for the whole calculation with the same or even higher precision.
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Most people view square-foot calculations with the same trust they put in miles-per-gallon stickers and the weight-loss claims of diet pills.
Fig. 10 Elevation-dependent distribution of colonnades using a scaling analysis and numerical model calculations with the same naming convention used in Fig. 2.
Analyzing the effectiveness issue, it is possible to verify that all the trees built with the proposed strategies presented a lower overlap factor when compared to MST and also that they required a number of distance calculations with the same order of magnitude.
When a small basis set is employed, SCS-MP2 calculationscan be less accurate than B3LYP calculations with the same basisset.
To do so, we repeat the PBEh* calculations with the same Cu/NaCl supercell as depicted in Figure 1 c, but with fewer TCNE molecules in it.
Further calculations with the same flow rate at the inlet but 1.59 L/min at the aerosol outlet showed no substantial differences.
In this way, all four calculations start with the same input: BED files for the samples and the region file.
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CEO of Professional Science Editing for Scientists @ prosciediting.com