Brain: Considering that the charge density penned for the file CHGCAR is not the self-reliable charge density to the positions on the CONTCAR file, don't conduct a bandstructure calculation (ICHARG=eleven) right following a dynamic simulation (IBRION=0). To use this perform with Dataset.map the same caveats use as with Dataset.from_generator, you https://daltondzwsm.ageeksblog.com/36620003/the-best-side-of-trade-finance-transparency