[CP2K-user] Conserved quantity changed in AIMD when do restart

[jt...@gmail.com]

Hi cp2k groups,

In *.ener file, I found the conserved quantity changed in AIMD 
from -5250.647211377 to -5250.077282796 when restart, and before restart, 
it's value fluctuated around  -5250.647*. Could anyone tell me if it's 
normal or I did something wrong?

I made the restart in a way changing the *.restart directly as my new 
input, does it matter to my conserved quantity change?

Best regards,
J.T Yang
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