[CP2K-user] Semi-empirical convergence

[Виктор Овсянников]

Dear CP2K users and developers,

I am trying to minimize charged fullerene cage using AM1, but it stucks and 
cannot converge with default SCF parameters and BFGS minimizer, and if I 
try to use different mixing methods, CP2K gives me segmentation fault. 
Input, output, and xyz files are attached.
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Name: C82-1-AM1.inp
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Name: c82-2-3D.xyz
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