[CPMD-list] how to get a equilibrium state at finite temperature?

[Chen Ying]

Dear all

 I used the following steps in order to get a equilibrium state at 4K.
1. wavefunction optimization
2. a short MD runs at 10K, because the phase transition happens at 13K.
   TEMPERATURE
   10.0
   TEMPCONTROL IONS
   10.0 2.0
    MAXSTEP
    600
3. a relatively long MD runs at 4K
 RESTART WAVEFUNCTIONS COORDINATES VELOCITIES LATEST
 RESCALE OLD VELOCITIES
  TEMPERATURE
   4.0
 TEMPCONTROL IONS
   4.0 1.0
  MAXSTEP
    3000

and 

  RESTART WAVEFUNCTION COORDINATES VELOCITIES LATEST 
  QUENCH BOELECTRONS
for 2 more runs.

the problem is that EKS keeps reducing (but very slowly) during the MD runs. I
wonder whether i have used the wrong method to relax the configuration, or I
should take more runs until EKS becomes stable.

Thanks in advance