Finding Cutoffs for Quantum Espresso Calculations

Critical numbers to check before running plane-wave calculations are the kinetic energy and density cut-offs. I found a useful guide to check these cutoffs, http://larrucea.eu/checking-optimum-cutoff-qe/. I uploaded a copy here. The script needs the location of the pseudopotential file and the executable, pw.x, location. One can modify the script, for example changing the numbers in the list of trial cutoffs to search for the best numbers. For ultrasoft potentials I guess one has to make sure the density cutoffs are high enough so the calculations for the last values in the list of kinetic energy cutoffs are reliable enough. [Update: the new QE library based on rrkjus pseudopotentials includes the cut-offs]