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Hi, I'm doing CI-NEB calculations to find the transition state (TS) of ethylene oxide hydrolysis. The initial state and the final state are optimized. When NEB calculation is performed at the insertion point, there is no problem with NEB calculation and the structure of the transition state. However, in DIM calculation, DIMCAR always runs well at the beginning (negative value), but errors occur during calculation (positive value), and the structure of the transition state changes. I have attached my input file and DIMCAR file