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)?<br /><br />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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