question over compute heat flux

Dear lammps users

I want to use compute heat flux for NiTi system in metal unit. I use the same code as mentioned in heat flux’s document (this code is on the real units) and I alter some of its number such as time step with respect to metal units. But every time i obtain wrong number in comparison with real units.

for example when i use real units for code that mentioned in heat flux documentation i obtain correct answer but when i change it to metal units and apply all of thing that i think is enough, I obtain wrong number which is smaller 10e47 time than correct number.

Would you help me to find out which one of the number should be changed?

I’m looking forward to having your help

here is my code that I change it:

Best wishes

heat flux.txt (1.84 KB)

I want to use compute heat flux for NiTi system in metal unit. I use the same code as mentioned in heat >flux’s document (this code is on the real units) and I alter some of its number such as time step with >respect to metal units. But every time i obtain wrong number in comparison with real units.

This means you did something wrong. I say that b/c it is possible
to run the identical calculation in any unit system LAMMPS provides,
but only if you specify every input value correctly, and interpret
every output value correctly. It can be tricky to do, but it is always
possible.

I doubt anyone is going to figure out for you what you did wrong.
You have to debug your script like a program. Test one portion of
your input script at a time and figure out what number is producing
the wrong result.

Steve