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Figure 2
Theoretical Ca K-edge (upper panel) and S K-edge (lower panel) XANES of CaS obtained in the full-potential (FP) mode either in the real space (for a cluster of 123 atoms) or in the reciprocal space, together with XANES obtained for a spherical potential (ASA) in the reciprocal space. The calculations were performed using the SPRKKR code; the core hole was not taken into account. The experimental XANES of Xu et al. (2013BB31) is shown for comparison.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 26| Part 1| January 2019| Pages 152-158
https://doi.org/10.1107/S1600577518016144
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