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Figure 1
Comparison of the experimental (circles) and simulated (line) EXAFS spectra of metallic Cu at LNT. The lattice parameter of the theoretical cell was expanded by 1% before calculating the EXAFS spectra in order to better show the agreement with the experimental data. It is worth noting that 1% is a typical absolute inaccuracy of DFT calculated structures.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 31| Part 5| September 2024| Pages 1078-1083
https://doi.org/10.1107/S1600577524005484
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