Collection of AiiDA WorkChains Developed in Morgan Group

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aiida-catmat

Collection of AiiDA WorkChains developed in CATMAT project at University of Oxford and University of Bath.

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Compatible with:

aiida-core aiida-vasp vasp vasp

Installation, usage, and available workchains

Please check the documentation.

Contact

Please contact Pezhman Zarabadi-Poor if you have any questions regarding this package.

Acknowledgment

I think the Faraday Institution (FI) CATMAT project (EP/S003053/1, FIRG016) for financial support. I'd also thank Dr. Benjamin Morgan, Dr. Alex Squires, and Hollie Richards for their inputs during the developemnt.

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This version

1.0.0b0 pre-release

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