We illustrate input parameter benchmarking, output accuracy evaluation, and performance speedup estimate of the workflow and showcase temperature-dependent thermal properties for selected metastable materials. To aid reproducibility, we present the specific parameters used in our workflow after systematic benchmarking, e.g., selected fitting method of rfe and convergence supercell of ∼20 Å. More detailed descriptions of embedded parameters are given in Tables and. Our proposed workflow can achieve high accuracy for downstream results, including (i) an R 2 >0.9 in thermal expansion coefficient and lattice thermal conductivity across more than 30 materials and (ii) phase transition temperatures with less than <10% error, after considering temperature-dependent free energy corrections. Notably, our approach requires 2-3 orders of magnitude less computational time compared with the finite displacement method, making the widescale calculation of accurate thermal properties tractable. Finally, our proposed method and implementation in atomate makes it straightforward to perform these calculations without dedicated user tweaking of HiPhive fitting and DFT parameters, allowing for the approach to be automated. A comprehensive plan for future improvements in computational efficiency and accuracy is outlined in the Discussion section.