aerba Thank you for your response, it has been very helpful. Best regards

Hello,

I have performed a topological calculation using the TRHO keyword. In my output file, within the "CRITICAL POINTS FOUND" section, I notice that some atoms or sites are labeled as "PS" instead of a chemical symbol. The "PS" label is associated with a (3,-1) critical point.
Could anyone please explain what the "PS" label stands for and how to interpret it? If "PS" represents an atom, is there any way to determine which atom it is?

It is worth mentioning that I used a pseudopotential for one of the atoms in my system. Please find below the relevant section of my output file, as well as the input file used for the calculation.

Thank you in advance for your help.

Best regards

Thanks a lot! I will take your advice.

Hi, I did a properties calculation and I'm getting negative values for the density of states. Does anyone have any idea why this is happening?
Thank you in advance
DensityStates.outp