Dear SIESTA Team, Recently I have performed computations for polycyclic aromatic hydrocarbons. I have tried different default basis sets. As a result, I have pretty good results fro SZP set - it turns out this basis set works much better than TZTP. That seems strange for me since I expected a convergence with the number of basis functions. Can you, please, give me a hint to understand why this may happen.
Thank you in advance Best regards, Mike
