timestep in MD simulation

tao liu liut... at gmail.com
Thu Nov 26 08:42:53 UTC 2015


Firstly, sorry for the confusion. 
My system is MgSiO3 which is not metallic system, and in the coordination 
part in the input file I just deleted most atoms to keep it shorter, 
actually there are 250 atoms (although it is a test run), I will increase 
the atom number to 1000 for production calculation. 

I will try smaller mixing_fraction as you suggested. Thanks.


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