[CP2K-user] [CP2K:21202] nudged elastic band CP2K diffusion path cathode

[DMITRII Drugov]

Dear colleagues,

Could you please advise on what BAND_TYPE is the most suitable for 
calculation of ion migration path without solid metal oxide (see image 
below)?

Usage: *BAND_TYPE (B-NEB|IT-NEB|CI-NEB|D-NEB|SM|EB)*

Valid values:

   - 
   
   B-NEB Bisection nudged elastic band
   - 
   
   IT-NEB Improved tangent nudged elastic band
   - 
   
   CI-NEB Climbing image nudged elastic band
   - 
   
   D-NEB Doubly nudged elastic band
   - 
   
   SM String Method
   - 
   
   EB Elastic band (Hamiltonian formulation)
   
Thank you for your help!

Best regards,
Dmitrii
[image: Screenshot 2025-02-24 at 11.30.46 AM.png]

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