[CP2K-user] [CP2K:21738] scf convergence error with large systems

[yaoca...@gmail.com]

Dear cp2k developers and users:
I find that when I was calculating a large system, in this example, 744 
atoms, the scf convergence always failed, no matter how I tried with 
cutoff, minimizer ...
However, when I use a smaller system (same elements but fewer atoms), the 
convergence is fine.
My input file and geometry file are pasted below.
Please help me if you have any experience with similar problems, thank you![image: 
convergence.png]

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