Hi everybody, I'm trying run a simple Homo-lumo orbital calculation by using the software TONTO contained in the crystal explorer package. At first sight it worked pretty well, but I was not able to read the stdout file, where the energy values and other details are supposed to be. Does anybody have an idea about how to read it? good suggestions are also wellcome! thank you

More Simone D'agostino's questions See All
Similar questions and discussions