[CP2K-user] Temperature output of Langevin molecular dynamics

[Nam Tran]

Hi,
I am trying to do Langevin MD simulation with two different ensemble 
(NVT/NVE). However, the output shows three columns of temperature. Can 
someone explain to me the meaning of those columns? 

# Temperature per Region
#   Step Nr.  Time[fs]             Temp.[K] ....
      5001            5001.000            0.000000          214.103289      
    180.910808
      5002            5002.000            0.000000          212.361238      
    188.302424
      .................

Here is my MD input section:
 
 &MD
    ENSEMBLE LANGEVIN
    TIMESTEP [fs] 1
    STEPS 2000 
    TEMPERATURE [K] 300
    TEMP_KIND

    &LANGEVIN
      GAMMA 0.001
      NOISY_GAMMA 0
    &END LANGEVIN

    &THERMAL_REGION
      DO_LANGEVIN_DEFAULT F
      &DEFINE_REGION
        TEMPERATURE 300
        DO_LANGEVIN T
        LIST 1..146
        NOISY_GAMMA_REGION 1.0E-4
      &END DEFINE_REGION

      &DEFINE_REGION
        DO_LANGEVIN F
        LIST 147..187
      &END DEFINE_REGION

      &PRINT 
        &TEMPERATURE
        &END
        &LANGEVIN_REGIONS
        &END LANGEVIN_REGIONS
      &END PRINT
    &END THERMAL_REGION
  &END MD

Best Regards
Nam
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