[CPMD-list] Liquid calculation

[Chiranjib Majumder]

Dear Users

   I shall greatly appreciate to know how to make a finite temp. molecular
dynamics using CPMD 3.5.3 version. I tried few runs with NOSE THERMOSTAT
but could not succeed to achieve the desired control over the temp.
fluctuation. The temp is fluctuating with in 100 KELVIN from my target
temp. I know that by velocity scaling I could have controlled the temp but
I don't want that.
Please let me know if I have to set some other options. My CPMD section
looks like

&CPMD
 MOLECULAR DYNAMICS
 RESTART WAVEFUNCTION COORDINATES VELOCITIES LATEST
 NOSE IONS
 300 2000
 NOSE ELECTRONS
 0.0001 6000
 STORE
 20
 &END

Thanking you in advance for your cooperation

Chiranjib Majumder