ABSTRACT
This chapter focuses on the extra tools, from the preparation of our own Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization (ESPRESSO) files, some useful Linux commands/scripts, plotting with Matplotlib in the Python environment, to additional packages online. Recent advances in artificial intelligence and machine learning have allowed us to obtain pre-defined input files for Quantum ESPRESSO calculations from input generator tools available online. Two outstanding examples are AFLOW (aflowlib.org) and MaterialsCloud (materialscloud.org). The chapter briefly discusses some types of parallelization that can be implemented in Quantum ESPRESSO because advanced users may want to play by themselves with the possible parallelization strategies beyond the default one. Shell scripts are useful for automating processes and running many jobs simultaneously because shell scripts allow us to string together sets of commands. Command substitution allows the result of a command to replace the command itself, acting much like a variable in practice.
