Hello!
I am trying to generate HOMO-LUMO orbital diagrams for some of my compounds and I keep getting the same error for all three of my zinc inserted trimers.I can dm the files to you directly if they're needed. I would include them here but I am getting an error about the server parsing.
The error I am getting occurs when I try to generate any orbital diagram and that is "Surface build failed! Reading cube file writing grid data reading grid point line 1075033 no data to plot Isovalue may be out of range". I get this whether I try to generate those files either from the optfq.fchk or the energy.fchk
I am unsure of how to fix this and would appreciate any information and possible solution that can be provided.
Thank you so much!