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This repository has been archived by the owner on Feb 12, 2021. It is now read-only.

Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

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PhasesResearchLab/ARCHIVED-dfttk-20210211

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The proper git repository for DFTTK can be found at https://github.com/PhasesResearchLab/dfttk

This repo exists to preserve the history of the project, however several large files exist in the history that bloated this repo to more than 1GB in size.

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Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

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