A finite difference scheme for integrating the Takagi–Taupin equations on an arbitrary orthogonal grid

Carlsen, M.; Simons, H.

doi:10.1107/S2053273322004934

Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

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Figure 3
Convergence of the new exponential integrators and a traditional finite difference scheme. The black lines mark first- and second-order convergence. All errors are calculated relative to the solution using the traditional half-step method with 10 241 steps. We tested integration schemes on two different samples. One (a) is a perfect crystal, the other (b) is the edge dislocation type sample shown in Fig. 2