[CPMD-list] MD simulation problem

Rongjian Sa rjsa at mail.shcnc.ac.cn
Wed Feb 12 09:05:21 CET 2003


Dear Everyone,
I have found almost all the current papers of CPMD simulations that
adopt for bond length or other parameters to judge equilibrium. But 
for classical MD simulation, the corresponging criteria is the energies
of systems. So I wander if who can tell me is there any paper of 
CPMD calculation that use erergies as the criteria to equilibrium.

Sincerely yours,
Rongjian 
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