Melt - quench technique for glass foramtion

Aniruddha Dive anirudd... at gmail.com
Mon Nov 21 21:33:08 CET 2016


Hi All,

I am pretty new at performing ab - initio MD calculations using CP2K. I 
want to carry out ab - initio MD of a particular glass. In order to form 
glass, I am using melt - quench technique, but I am not aware how do I 
linearly increase the temperature at each timestep. Kindly guide me about 
how if I can linearly increase temperature in CP2K and similarly reduce it 
during the quenching cycle as well? 

Regards,
Aniruddha M Dive
PhD student , Washington State University
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