[CP2K-user] [CP2K:18954] Aimd Simulation Error

[Vahiya Mitanshu]

hello cp2k users,
      I am using cp2k for aimd simulation of binary system ZrCu, but i'm 
not getting desired result. As i am new to cp2k i'm not used to it, i have 
stared a run of 128 ZrCu atoms 64 Zr and 64 Cu. Temp. starting from 300. As 
the run starts first it goes for 300 and after that temp. directly got to 
around 1800 and 5400 respectively for different steps. i'm not getting what 
is the problem in code. Also i have taken the atomic position from 
benchmark example of H2O. cause in new geometry i'm getting the warning of 
atoms distance less than 0.500 angstroms. So to avoid that warining i have 
taken geometry from H2O example and to analyse the obtained result but it 
seems to getting wrong so please if anyone can provide guidance. i have 
attached the input, output and ener file. 

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