Shawn Wang
Shawn Wang
@Zhuoying Thank you for the info. Will run the test soon.
Hi @utf, I updated the test files and everything should work well now. Can you help me to review the code and merge it? Many thanks!
Hi @utf I fixed the k mesh and run the sample code again to update the test files successfully. However, after I have done this merge: [Merge branch 'materialsproject:main' into...
@utf Yes. I tried to updated all the dependencies to the required version. Besides, I observed the testing failed here with the same reason, where the testing installed all the...
@utf I am still trying to find the problem. I will let you know when I have any clue! Thanks so much.
Hi @tpurcell90, I am not familiar with the FHI-aims package. But I would love to work with you together to port this for FHI-aims!
Yes @tpurcell90, I think it would be better to merge the PR and then we can work on the adding FHI-aims support. @utf, I have done the debugging for that...
Hi @utf, thanks for these updates. I will go through each item and resolve those issues.
Hi @utf. I have resolved all the issues you mentioned above and included the schema into the adsorption workflow. Please take a look and let me know for any further...