Figure 6
Relaxation for a crystal with a low SFE (silver). ux component of the atomic displacement after 900 relaxation steps (a), 3000 relaxation steps (b) and full relaxation (c). (d)–(f) Corresponding CXD pattern for g·b = 0 (g = 224). (g)–(h) Intensity along [] and [111] (log scale). The selected area of the reciprocal space is kept to the same value in all figures and is equal to 0.045 × 0.0675 Å−1. |