Table lists more detailed data on LTC. R 2 = 0.98 from the linear regression fitting here among all the materials. conventional finite-displacement method (configurations generated by Phono3py) by comparing the consumed node hours of DFT calculations. The primary focus is on the vastly reduced VASP runtime due to the reduced number of displaced-supercell configurations for quality results. Extra time is required for the IFC fitting and LTC calcula-tions, even though the DFT process takes up the majority of time (85%) in the workflow as shown in Figure . This assessment was conducted across a range of binary and ternary compounds, encompassing all seven distinct crystal systems. The conventional finite-displacement method requires many more configurations than we need in this workflow. We averaged five random samples (by Phono3py) and three configurations (by our workflow) to estimate the total VASP runtime. All the VASP calculations were done under the same supercomputer system setting (4 Cori-KNL nodes on NERSC, detailed node info: Intel Xeon Phi 7250 Processor: 68 cores@1.4GHz, 96GB DDR4, 16GB MCDRAM memory per node) to maintain consistency. The runtime, number of configurations, and supercell size are given in Table . Our workflow requires 2-3 orders of magnitude less computational time compared with the finite-displacement method as shown in Figure , which finally makes widescale calculation of anharmonic thermal property calculations attainable.