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This paper presents a Python software package, Ph3pyWF, providing a moreconvenient platform to realize high-throughput analysis of lattice thermalconductivity for ceramic materials. The interface of Ph3pyWF is friendly forusers with different needs and from different level. For novices of interests,the inputs can be quite simple, just with initial unit cell structure. Otherparameters would be automatically filled. And for expert-level researchers withvaried requirements, plenty of procedure parameters can be customized. The coreconcept of Ph3pyWF is to build a data exchange and task management system withhigh efficiency. The design details of the Ph3pyWF will be clarified in thispaper and following with a few typical oxide ceramics examples to demonstratethe applicability of this software package.

Ph3pyWF: An automated workflow software package for ceramic lattice thermal conductivity calculation