Fig. 7: Search of transition paths of lithium.
From: An automated predictor for identifying transition states in solids
a Evolution history of search for the transition path from FCC to cI16 structure of Li. The different colored dots indicate the energy barriers of the different paths examined in each step. b Transition path with the lowest energy barrier. The red star denotes the TS barrier for the MEP. c–e Calculated charge density distribution of c FCC, d the transition state (TS), and e cI16 structures. The iso-surface value is set as 0.02. Note that the white balls represent Li atoms. Pink octahedral (Li6), blue dodecahedral (Li8).
