[CP2K-user] Annealing for obtaining the structure of material by AIMD simulation?

zhijian fu jian... at gmail.com
Wed Mar 10 05:06:51 UTC 2021

Dear all,
I want to obtain the structure of (ZrO2)92(Y2O3)8 by annealing from 1200 
K(the melting state) and the AIMD simulations,
but I don't know how to set the input file.
I build an input file (in attachment)by referring to the cp2k/test 
examples, but the AIMD simulation can not be done.

Could you give me some advice?
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