atomate2.cp2k.flows.coreΒΆ
Core VASP flows.
Classes
Maker to generate Cp2k band structures. |
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Maker to perform a double CP2K relaxation. |
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Maker to perform a PBE restart to hybrid cell opt flow. |
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Maker to create hybrid flows. |
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Maker to perform a PBE restart to hybrid relax flow. |
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Maker to perform a PBE restart to hybrid static flow. |
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Make to create a flow with a relaxation and then band structure calculations. |
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bool(x) -> bool |