The twofold solution would appear to be (i) to make the RMSD biasing even less energetic than in NCI mode, and (ii) to perform restarts from a more diverse set of conformers than just the lowest-energy one. CREST does not contain options to select additional conformers to start new cycles from, and the documentation does not describe how to adjust biasing parameters for MTD runs. Thus, a variation on the CREST iMTD algorithm which would allow the implementation of these solutions needed to be developed. Similarly to iMTD, the new algorithm can use the underlying xtb program to run metadynamics. We also make use of some of the abbreviated functionalities of CREST, such as -rmsd and -screen, in the new algorithm.