[CP2K-user] Transition state search with DIMER METHOD
Stefano Pantaleone
stefanop... at gmail.com
Wed Oct 3 09:58:08 UTC 2018
Hi everybody,
I am using the DIMER METHOD to search for a transition state, but I do not
understand how to generate the starting DIMER VECTOR, and I do not find
this information in any discussion. In other programs this can be done with
a previous frequency calculation, but if this is also the case I do not
know how to print if from a VIBRATIONAL ANALYSIS.
Thank you in advance for your help,
Stefano
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