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functional theory for conductivity mechamism of Solid Oxide Fuel Cell

I am doing somework about simulation with density functional theory for conductivity mechamism of Solid Oxide Fuel Cell.

However I need some document help about how to conduct the simulation procedure ? could you help me ? thanks.

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    Benjamin P Haley

    Hi, We have recently deployed a powerful ab initio density functional theory tool, ABINIT, on the

    nanoHUB. You might find it very useful. The tool page is
    This page has a link to the official ABINIT website, which has tutorials and documentation. You can construct the input files explicitly if you like, and upload and run them on the nanoHUB, or you can use the graphical interface to specify the input variables.

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