MaterialsAtlas Software and Tool

AFLOWpi

quantum-espressohigh-throughputworkflowpythoncomputational-materials-softwaresoftware-tools

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Python framework for automating Quantum ESPRESSO calculations and high-throughput materials workflows.

Citation: AFLOWpi. Computational materials software/tool. https://aflow.org/aflowpi/

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, and common computational materials workflows.

TypeSoftware and Tool

DomainHigh-throughput DFT workflows

LicenseGPL

Contributorsaflow.org