[CP2K-user] [CP2K:18769] How to properly set dimer vectors in CP2K?

D Y dy201546008 at gmail.com
Fri May 5 05:41:49 UTC 2023

Dear CP2K developers and users,
  when i performed transition state search using dimer method, the outputed 
restart file contains six columns numbers in &DIMER VECTORS section. But in 
manual of CP2K, the &DIMER VECTORS seems only need to set three real 
numbers. So i have questions about what are these six columns represents 
for and how to set these dimer vectors properly in my input file? could you 
provide some suggestions for it?


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