Customizing atomate2 flow to use MPMetalRelaxSet defined in pymatgen. #916
hongyi-zhao
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I should read and learn the tutorial below first: |
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Hi there,
I am currently working on customizing an atomate2 workflow for a specific project. I would like to use MPMetalRelaxSet instead of the default VASP input sets to better suit my needs.
But I am unsure how to modify the atomate2 flow to incorporate MPMetalRelaxSet. Could you please provide guidance or examples on how to: Integrate MPMetalRelaxSet into an atomate2 workflow?
Thank you in advance for your assistance.
Best regards,
Zhao
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