[CPMD-list] Constrained Molecular Dynamics

[Rongjian Sa]

Dear Everyone,
I have found the temperature is very difficult to control when run constrained 
MD. Expecially the kinetics of electrons. I wander if this is the reason that I 
have used a non-constrained wavefunction. For I have failed in optimizing
wavefunction when I use constrained conditions in my input file. So how to
control my  system temperature? I need your kind help!
Thank you!
Sincerely yours,
Rongjian Sa
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