[CP2K-user] [CP2K:21237] Re: CUTOFF and REL_CUTOFF convergence

[Quentin Pessemesse]

Hello, 
This is rather dependent on what you want to do. If you only need forces 
for MD you may go lower than 850 Ry without affecting your results, but if 
you want highly accurate spectroscopy you could need very tightly converged 
energies.
Best,
Quentin

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