Zheyong is correct. His way is safer and will give you the correct result.
I believe that means you will also need to calculate the thermal
conductivity from the heat current, but that should be relatively
On Wed, Nov 25, 2020 at 6:14 AM Bruce Fan <brucenju@xxxxxxxxx> wrote:
Using the HNEMD method, and output group heat currents using the compute
heyword, you can get what you want without changing source code.
"소순성" <soonsung2001@xxxxxxxxxx> 于 2020年11月25日周三 11:42写道：
Thank you Alex~!
I'm sure it will be very helpful advice for me!
And after I got your answer, I have additional question.
Following the analogous logic,
can I calculate the thermal conductivity contribution of each graphene
layer from bilayer graphene?