bulk_stability calculation unit test fixed #100
Merged
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
PMG calculated the electrochemical stability of Pt-126 at pH=0, V=0.9 as 0.861eV/atom. and I calculated that number differently a month ago (0.881eV/atom). I cannot figure out why anymore. So I updated the expected number, verified the 0.861 eV/atom is actually correct with the old PMG version (2018.9.1), as well as verified with the Pourbaix diagram on the MP website. In addition, I also added IrO2 bulk stability as a baseline for comparison.