[CP2K-user] [CP2K:20015] How to set variable spring constants for CI-NEB?
robinz...@gmail.com
robinzhuangs at gmail.com
Mon Mar 11 14:00:22 UTC 2024
Dear developers,
I recently used CI-NEB and read the original paper by Henkelman.
In the last section of the paper, he described that using the
variable spring constants will give a better approximation of the tangent
near saddle point. However I cannot find such setups for variable spring
constants in CP2K. Has this not been implemented yet or is it hidden
somewhere? I also checked the regtest where no similar setup is given.
Thanks for all taking time.
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