Hi, All

I was using the compute heat/flux commands on different groups within an **equilibrium bulk crystalline system**(with periodic boundary conditions)

here is the commands that I used, where “surface” + “ inner” group equals group “all”

**compute innerKE inner ke/atom**

**compute innerPE inner pe/atom**

**compute innerStress inner stress/atom NULL virial**

**compute innerflux inner heat/flux innerKE innerPE innerStress**

**compute surfaceKE surface ke/atom**

**compute surfacePE surface pe/atom**

**compute surfaceStress surface stress/atom NULL virial**

**compute surfaceflux surface heat/flux surfaceKE surfacePE surfaceStress**

**compute allKE all ke/atom**

**compute allPE all pe/atom**

**compute allStress all stress/atom NULL virial**

**compute allflux all heat/flux allKE allPE allStress**

Then I outputted **c_innerflux, c_surfaceflux, c_allflux** to files and it turns out that **c_innerflux, c_surfaceflux is much larger than** **c_allflux, and the first two autocorrelation functions don’t decay, just** **oscillate.**

I was expecting **c_innerflux + c_surfaceflux = c_allflux** but it is not the case here. Has anyone encountered similar issue before? or am I doing anything wrong?

Cheers