Hi all,
is it possible to read DFT input settings somehow with ASE? I’m looking at the interface for Quantum Espresso (but this is likely a general question). I can now read the structure fine from older calculations, do some modifications but then when I want to set up the calculator, I need to input the Quantum Espresso settings manually. Is it possible to somehow read it automatically from older calculations, than maybe modify 1 or 2 parameters, pass to the ASE calculator and run?
Best regards
Pavel