Tutorials

sda

Basic AiiDA tutorials:

If you are not familiar with the basics of AiiDA yet, you might want to checkout the AiiDA youtube tutorials. The jupyter notebooks from the tutorials you will find here on github, where you can also try them out in binder. Virtual machines for tutorials and tutorial manuals you find here.

How calculation plugins work:

Run inpgen calculation tutorial

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Run fleur calculation tutorial

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Running workflows:

Run fleur SCF tutorial

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Run fleur eos tutorial

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Run fleur bandstructure/dos tutorial

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Data extraction and evaluation:

General calculation, workflow

Total database