Dear SIESTA users, I am trying to plot the HOMO and LUMO of an isolated molecule (BDT). I am following the instructions of the UserGuide, I get in the output the files .PLD and .DIM, but siesta does not generate the WFSX file. I have attached my input file.
Please, can you give me a suggestion? Thank you, C. Motta
RUN.fdf
Description: application/vnd.fdf
