[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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