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The generated neutrons were banked, together with all related parameters, for a subsequent MCNPX calculation to obtain the neutron dose.
As a result, wannier90 is independent of the basis set used in the underlying calculation to obtain the Bloch states.
It is essential to find the optimal geometry based on the theoretical calculation to obtain a reasonable AR performance.
Thus, using a low-cost DFT calculation to obtain molecular descriptors, NCIs by higher levels of theory can be achieved.
We consider sample size calculation to obtain sufficient estimation precision and control the length of confidence intervals under high dimensional assumptions.
We used sensitivity analysis and simple stoichiometric calculation to obtain optimum set points for the controlled variables, which has a direct effect on the energy usage and production rate in the WSA process.
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Black dots are used for fast Fourier transform (FFT) calculations to obtain power spectra.
Note that no coseismic stress changes are considered for calculations to obtain the results in this figure.
The CITATION code is implemented for core calculations to obtain effective multiplication factors as well as flux and power distributions.
Since weak convergence of q ( k ), however, is enough to go to the limit in Section 6, we forgo these calculations to obtain strong convergence.
However, the SRS sampling method is inefficient for its heavy computational burden due to the need of a large number of repeated calculations to obtain a specified accuracy.
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