[CP2K-user] [CP2K:21884] Geometry optimization can't converge and output trajectory

[Anqi Qiu]

Hi everyone,

I'm running a geometry optimization simulation of a AlFeSi cell. The 
simulation will not converge, and when I try to output the trajectory to 
see what is wrong, it will not print the trajectory. Can anyone give me 
some hints on what might have gone wrong?

Best,
Anqi Qiu

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