timestep in MD simulation
tao liu
liut... at gmail.com
Thu Nov 26 08:42:53 UTC 2015
Hi,
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.
Tao
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