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Spin crossover with NEB
Posted: Sun May 16, 2021 8:31 pm
Are there any plans to enable individual NUPDOWN keywords (and/or MAGMOM flags) for each image in an NEB run? Right now, the best I can do is copy a WAVECAR in each folder from a separate static run and hope that the spin state remains the same. If there's an easier way to approach this, please let me know.