Dear Steve,
I would like to calculate thermal conductivity using
Lammps but I have some problems to run my system since I get an error
ERROR: Mismatched compute in variable formula
when I deactivate thermal conductivity fix command my system can work properly.
These are line I am using to calculate thermal conductivity;
compute ke all ke/atom
variable temp atom c_ke/1.5
fix 6 all ave/spatial 10 100 1000 z lower 0.05 v_temp file tmp.profile units reduced
I have attached my in.put file.
I would be glad if you let me know where I am making any mistake.
Thanks a lot in advance.
Best regards,
Mohammad
in.PNIPAAM (895 Bytes)