[CP2K-user] Choosing POISSON SOLVER for AIMD

[Brandon Meza Gonzalez]

Dear cp2k users,

I have been studying a system of polypropylene with Pb, Cd and Cu cations 
through PBE-D3 NVT molecular dynamics. At this moment I have serious 
problems in the system Cd-Cu-polymer. At certain step simulation atoms get 
separated and the system crashes. 

Here my questions.
-Is this problem related with the using of implicit solvatation? I do not 
how to add implicit solvatation model in my calculations, do you know some 
example of tutorial?

-I have doubts about the PSOLVER, too. 
Between MT or WAVELET which one would you use? How can I decided it?


I attach my input file and the .xyz file. 

Thanks a lot for your time and help

Kind regards from Mexico,

Brandon
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