There are packages like ASE (atomistic simulation environment) that provide a very easy interface to a large set of DFT codes, including Quantum Espresso. Unfortunately, the interface to QE is currently based on input file writing / output file reading, which leads to the problem that if multiple consecutive SCF runs are needed (for example during structural optimizations or MD runs), the charge density and wave functions have to be loaded and stored in each SCF run, which can be a few GBs in size. Would it be possible to have something like an interactive shell (similar to cp2k_shell, https://wiki.fysik.dtu.dk/ase/ase/calculators/cp2k.html)? This would allow to keep the wave function and charge density in memory, lead to a significant reduction of IO and save a lot of time for large models/WFs.