
SPC/Fw water simulation: primitive PIMD with Nose'-Hoover chains

&cntrl

!..................................................

  imin = 0

  irest = 1

  ntx = 5 

!..................................................

  ntb = 1  

!..................................................

  cut = 9.0 

!..................................................

  temp0  = 298.15 
  temp0les = -1.0 

  ntt = 4   ! flag for Nose'-Hoover chains

  nchain = 4   ! number of thermostats in each Nose'-Hoover chain

!..................................................

  dt = 0.000050

  nstlim = 200  

  nscm = 100000000

!..................................................

  restart_cmd = .true.

  neq_cmd = 100  

  adiab_param = 0.08

!..................................................

  ntpr = 20

!..................................................

/
&ewald
  skinnb = 0.2d0
/
