Context: I am an undergraduate "self-taught" noob when it comes to QE. (I've just been using online resources and textbooks thus far.) There are no QE or DFT experts at my university (I have checked with multiple departments), and I have not been referred to experts that have the time to discuss my problems. I also do not have access to VASP.
Issue: I have successfully gotten a few different calculations to work for simple systems on my university's HPC (i.e., bands.x, q2r.x, dos.x, pw.x, ph.x, matdyn.x, and so forth). However, I am struggling to produce an STM image (that I can display in XCrySDen), despite it seeming simpler than many other calculations.
To my understanding I need to run:
(0) relaxation calculation(s) like vc-relax and relax. (pw.x vc-relax, relax; I have good input files and successful outputs)
(1) self-consistent calculation (pw.x scf; I have good input files and successful outputs)
(2) a non-scf calc (pw.x nscf; I have good input files and successful outputs)
(3) an STM calc (pp.x ... I guess my input file is wrong somehow)
Question: As an example, for a simple graphene STM simulated scan, what would a successful, minimal sample input file contain? I cannot even get this to work.
Note: I think it is easiest for everyone if I compare what files/advice the replies return to my own files, and determine my errors that way, rather than provide all my input files here and have someone try to find my errors. I am also familiar with the input file descriptions, various QE forums, and have looked for examples elsewhere.
Thank you for your time, and for reading! It's possible my error is something small and stupid, but I would still very much appreciate hearing from those with more expertise than me.