Analyzing diffuse scattering with supercomputers. Corrigendum

Journal Article · Tue Mar 01 00:00:00 EST 2016 · Journal of Applied Crystallography (Online)

DOI:https://doi.org/10.1107/S1600576716002077· OSTI ID:1326483

Michels-Clark, Tara M. ^[1]; Lynch, Vickie E. ^[2]; Hoffmann, Christina M. ^[2]; Hauser, Juerg ^[3]; Weber, Thomas M. ^[4]; Harrison, Robert ^[5]; Bürgi, H. B. ^[6]

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1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
3. Univ. of Bern, Bern (Switzerland)
4. ETH Zurich, Zurich (Switzerland)
5. Stony Brook Univ., Stony Brook, NY (United States)
6. Univ. of Bern, Bern (Switzerland); Univ. of Zurich, Zurich (Switzerland)

The study by Michels-Clark et al. (2013 [Michels-Clark, T. M., Lynch, V. E., Hoffmann, C. M., Hauser, J., Weber, T., Harrison, R. & Bürgi, H. B. (2013). J. Appl. Cryst. 46, 1616-1625.]) contains misleading errors which are corrected here. The numerical results reported in that paper and the conclusions given there are not affected and remain unchanged. The transition probabilities in Table 1 (rows 4, 5, 7, 8) and Fig. 2 (rows 1 and 2) of the original paper were different from those used in the numerical calculations. Corrected transition probabilities as used in the computations are given in Table 1 and Fig. 1 of this article. The Δ parameter in the stacking model expresses the preference for the fifth layer in a five-layer stack to be eclipsed with respect to the first layer. This statement corrects the original text on p. 1622, lines 4–7. In the original Fig. 2 the helicity of the layer stacks b_L and b_R in rows 3 and 4 had been given as opposite to those in rows 1, 2 and 5. Fig. 1 of this article shows rows 3 and 4 corrected to correspond to rows 1, 2 and 5.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
• Sponsoring Organization: USDOE Office of Science (SC)
• Grant/Contract Number: AC05-00OR22725
• OSTI ID: 1326483
• Journal Information: Journal of Applied Crystallography (Online), Vol. 49, Issue 2; ISSN 1600-5767
• Publisher: International Union of Crystallography
• Country of Publication: United States
• Language: English

Related Subjects

97 MATHEMATICS AND COMPUTING
diffuse scattering
quantitative analysis
supercomputers