Band structures have been computed and plotted for all systems, with the exception of the 2H phases of TaTe2 and WTe2. The results are presented below, specifically focusing on the NSOC case. These band structures provide valuable insights into the electronic properties of the TMDC materials, aiding in the understanding of their behavior and potential applications. By comprehensively assessing the performance of different XC functionals and analyzing the structural and electronic properties, this study contributes to the evaluation and selection of suitable methods for accurately characterizing TMDC materials. The results obtained enhance our understanding of these materials and pave the way for further exploration and utilization in various technological fields.