[CP2K-user] [CP2K:18529] Problem with the convergence of SCCS model

'Janson Shi' via cp2k cp2k at googlegroups.com
Fri Mar 10 04:25:02 UTC 2023


Dear sir,

I have stuck in the SCCS model for couple of days to calculate the system 
of 2D material and H2O molecules. Still, the system is quite difficult to 
converge. Please give me some instructions to change some related 
parameters in the *inp files. By the way, the system can be converged 
without SCCS model.

Best regards,
Janson Shi 

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