[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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