[GSAS-II] Ia-3d GSAS problem

[Toby, Brian H.]

As a quick follow up on the e-mail referenced above, there was indeed a problem with how unit cell offsets were computed for CIFs, causing CheckCIF to complain that it was not computing the same bond distances/angles as GSAS-II was reporting. The distances and angles were correct, but the labeling of the specific atom replicants was not. This bug was fixed sometime back, but the version of GSAS-II used to prepare the CIF here had not been updated in well over a year.

I’d like to ask everyone to please check that they are using the most recent version of GSAS-II before reporting a problem.

Thanks,
Brian
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