Similarly, the optimization of spin-orbit coupling (SOC) effects has been carried out for the 1T phases of six systems (Table ). The results of these optimizations are presented below in tabular form, providing valuable information about the impact of SOC on the structural parameters of the TMDC materials. The lattice parameters obtained from these calculations further support the findings in the non-SOC (NSOC) cases, highlighting the reliability of the selected functionals for both 1T and 2H phases. It is worth noting that the performance of van der Waals (vdW) functionals in the presence of SOC is comparatively less effective, except for the SCAN+rVV10 vdW-DF (refer Table ). This observation suggests that the SCAN+rVV10 vdW-DF functional is better suited for capturing the interlayer interactions and accurately describing the electronic structure of TMDC systems in the presence of SOC. By considering the SOC effects and incorporating the appropriate vdW functionals, this study provides a comprehensive understanding of the structural and electronic properties of TMDC materials. These insights contribute to the exploration and utilization of TMDCs in various fields, such as spintronics, catalysis, and quantum computing. Upon analysing the table above, it is evident that the energy difference between the SOC and NSOC cases falls within the positive range, indicating the energetic dynamic nature of spin-orbit coupling (SOC) compared to the non-SOC (NSOC) case. The energy values obtained in the SOC case are generally similar to or slightly higher than those in the NSOC case, consistent with previous studies . In this study, we conducted a comparison of the Fermi surfaces between the NSOC and SOC cases. Notably, we observed that the Fermi surfaces were almost identical in both cases, irrespective of the presence of SOC. As the Fermi surfaces for the majority of systems were shown in the NSOC cases, we decided not to display them for the SOC cases.