I tried many times to optimize ZnO/GO with Gaussian 09. Even if the project run and completed successfully, there is fragment of the optimized structure. Please help me to resolve this issue!
If you encounter fragments in the optimized ZnO/GO structure using Gaussian 09, ensure a well-defined initial geometry, use appropriate basis sets and functionals, and adjust convergence criteria. Additionally, consider different optimization methods and perform frequency calculations to confirm a stable minimum energy configuration.