[lammps-users] Question about fix thermal/conductivity

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1

Dear LAMMPS users and developlers,

I’m trying to use LAMMPS to calculate thermal conductivity of PbTe. I followed the manual (actually from the example on page 328 of the manual), however, when I tried to run the code, it stopped with an error:
ERROR: Mismatched compute in variable formula

Can you help me with that? Thanks a lot! The input file is attached below.

2

Try

variable mytemp atom c_myke[]/1.5

See the variable doc page for why this is needed.

Steve