GPUMD
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Add option to consider convective heat current in thermal conductivity calculations
This is important for fluids and might also have small effects in some solid structures.
It might also be important for some glasses or amorphous solids, which have bigger difussion property when compared with the lattice structures.
We are still studying this. I really want to figure out the role of convection from solid to fluid. I also want to extend the spectral decomposition techniques to more general systems. This might lead to a nice paper.
It turned out that the convection part is very small (about 10%) even for liquids. And there is no need to do spectral decomposition for the convection part, as it must be at zero frequency.
will be solved in #449
close as solved.