[CP2K-user] [CP2K:22232] Temperature in Ehrenfest Dynamics Simulation

[Deepak Ojha]

Dear CP2K community,
I am trying to simulate Ag nanoparticle (38 Ag atoms cluster) surrounded by 
84 water molecules under laser pulses of strength 7.2 times 10^4 W/cm2 as 
well as in absence of laser.  The time step is 0.005 fs but i am finding 
the temperature increase to 1000 K after few timesteps and remains so for 
rest of simulation (500 fs).  The simulation box is based on the density of 
water and Ag cluster and not unstable. I have attached the inputs and the 
energy log snippets below ,

in presence of laser pulse:
  62073          310.365000         1.471616228      1071.970233250     
-2844.424108082     -2842.952491854        10.401589267
     62074          310.370000         1.471744089      1072.063371468     
-2844.424236288     -2842.952492199        15.067414705
     62075          310.375000         1.471872595      1072.156978985     
-2844.424365131     -2842.952492536         9.740710421
     62076          310.380000         1.472001732      1072.251046601     
-2844.424494600     -2842.952492868        13.585177172
     62077          310.385000         1.472131490      1072.345565861     
-2844.424624676     -2842.952493186         9.814854871
     62078          310.390000         1.472261860      1072.440531497     
-2844.424755359     -2842.952493499        10.463501892
     62079          310.395000         1.472392835      1072.535937818     
-2844.424886639     -2842.952493804        10.205156553
     62080          310.400000         1.472524411      1072.631781933     
-2844.425018496     -2842.952494085         9.985440272
     62081          310.405000         1.472656595      1072.728068476     
-2844.425150969     -2842.952494374         9.488060078
     62082          310.410000         1.472789390      1072.824800965     
-2844.425284047     -2842.952494656         9.409080196

and for no field case
49337          246.685000         1.527077961      1112.370254774     
-2844.477614195     -2842.950536234       112.823066678
     49338          246.690000         1.526876642      1112.223607782     
-2844.477412361     -2842.950535720       101.576294358
     49339          246.695000         1.526675052      1112.076763517     
-2844.477210273     -2842.950535221       280.879946035
     49340          246.700000         1.526473204      1111.929731346     
-2844.477007928     -2842.950534724        67.289668470
     49341          246.705000         1.526271112      1111.782521352     
-2844.476805339     -2842.950534227       241.372059850
     49342          246.710000         1.526068790      1111.635143493     
-2844.476602517     -2842.950533727       124.872001862
     49343          246.715000         1.525866249      1111.487606515     
-2844.476399487     -2842.950533239       216.841069785
     49344          246.720000         1.525663499      1111.339917445     
-2844.476196259     -2842.950532760       199.899992433
     49345          246.725000         1.525460544      1111.192078477     
-2844.475992828     -2842.950532284        31.693023487
     49346          246.730000         1.525257388      1111.044093846     
-2844.475789200     -2842.950531812       173.678658890

I will be glad if you can suggest how to control the temperature for the 
system. 

Thanks and Best Regards
Deepak Ojha

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