....^2.1

The URL is http://feff.phys.washington.edu/~ravel/software/atoms/

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....^3.1

origin at centre, complete with the British spelling, is the term used in the International Tables.

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... carefully^3.2

Pay particular attention to the second paragraph on page 2457.

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... (0.5, 0, 0.5053)^3.3

The example atom positions in this section are an oxygen site in the mineral hemimorphite (Zn₄Si₂O₇(OH)₂.H₂O), which is of the space group I m m 2

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... directory.^4.1

'$HOME/.atoms/' on Unix, undecided on VMS, and undecided on Windows NT.

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... available.^7.1

Both the Henke and Chantler tables have the problem that they are presented on a grid that is too sparse for reliable interpolation of f'(E) near the resonant energy. For this reason the CL tables provide for a much better simulation.

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... mouse,^8.1

Insert derogatory remark about Macs here!

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... Tables^11.1

This requires that your platform is one supported by the Cromer-Liberman tables

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... ^11.2

This correction is often called the McMaster correction in the EXAFS literature

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... cross-section^11.3

This is the numerical method used by McMaster et al. in their 1969 tables of cross sections. See Section 

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... Assuming^11.4

The correction for non-equal angles is simple, but not currently considered by ATOMS. Also, the assumption of infinite thickness discussed in the next paragraph could be corrected.

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... edge^11.5

Care is taken in the code to avoid running into other absorption edges in the material. If there is another absorption edge within 300 eV the range is truncated appropriately.

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