[CP2K-user] [CP2K:16621] PM6 method for Zn-MOF-74?

[Binquan Luan]

Dear all,
I am trying to use the semiempirical method PM6 to relax the atomic 
structure of Zinc-based MOF-74 (metal organic framework). The structure 
fell apart after about 100 steps. It seems that PM6 has the parameters for 
d-orbital. Not sure if I did sth wrong. The input files are attached.  
Thanks a lot for help.
Binquan

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