[CP2K-user] [CP2K:14005] Unexpected decomposition of molecules during AIMD

[冬tlyer]

Hello haibei,

Thanks for you reply.
I can get your meaning "constrain bood length".  But i try another input
file in my system, the decomposition did not occur again. And i complare
the twe file  finding that the some differenence is the QS section , the
XC_GRID  and the MG_GRID.  So in my mind ,maybe these sections get the AIMD
to different output. However, i don‘t know what section solve the situation
of decomposition.

As for fix bood length , I feel it will cause errors in the calculation
results . But this is only my feelling.

The new input-file and the old input-file as attach is present below.
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