Head: Since the demand density published into the file CHGCAR isn't the self-dependable charge density for the positions about the CONTCAR file, usually do not execute a bandstructure calculation (ICHARG=11) immediately after a dynamic simulation (IBRION=0). To use this functionality with Dataset.map the exact same caveats utilize as with Dataset.from_generator, https://invoice-factoring40515.bluxeblog.com/70124194/supply-chain-finance-no-further-a-mystery