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The summit of the volcano plot (activity) produced by the tutorial example is around 3.2 times larger than that of Pt(111), but it seems that the data in the original paper is around 10 times.
I checked the numbers of input data, and they seems consistent with the tables in the paper.
I wonder is there any trick in the simulation causing the difference,
Thanks,
Best,
Geng
The text was updated successfully, but these errors were encountered:
Hi,
I wonder is the example in the tutorial exactly reproducing the results in the paper of
https://pubs.acs.org/doi/pdf/10.1021/jp4100608
The summit of the volcano plot (activity) produced by the tutorial example is around 3.2 times larger than that of Pt(111), but it seems that the data in the original paper is around 10 times.
I checked the numbers of input data, and they seems consistent with the tables in the paper.
I wonder is there any trick in the simulation causing the difference,
Thanks,
Best,
Geng
The text was updated successfully, but these errors were encountered: