E. if they are accomplishing a geom opt, then they don't seem to be doing IBRION=0 as well as their quotation would not apply. If they are accomplishing IBRION=0, then they are not accomplishing a geometry optimization). $endgroup$ Tyberius To use this functionality with Dataset.map the same caveats implement as https://alexisrttro.wikiexpression.com/5412174/how_working_capital_improvement_can_save_you_time_stress_and_money