[CP2K-user] [CP2K:22061] NEGF in CP2K

[Michael LaCount]

I noticed in the 2026.1 release of CP2K a new feature 'NEGF: New method to 
extract the matrix Hamiltonians for electrodes'. I have been running NEGF 
calculations using an earlier version of CP2K 2024.2, is there a notable 
performance or accuracy difference with the new method (or from other 
changes to NEGF)?

I also just found the SMEAGOL NEGF interface option, I am unfamiliar with 
SMEAGOL and would like to ask if there is any advantage to using that 
interface vs the internal CP2K NEGF routines?

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