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Figure 2
Illustration of a typical dependency graph for the main physical properties involved in the calculation of Debye–Waller (DW) factors using the ABINIT and DMDW software packages (as described in Section 3.2[link]) User-provided properties are shown in orange, and the primary calculated properties are shown in blue. The automatic workflow Builder works backwards from the DW property determining its dependencies until all are satisfied either from previous workflow steps or from the user input.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 26| Part 5| September 2019| Pages 1694-1704
https://doi.org/10.1107/S1600577519007495
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