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[lammps-users] Green kubo thermal conductivity
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[lammps-users] Green kubo thermal conductivity

From: ZEESHAN AHMED <PG201271008@...6800...>
Date: Wed, 13 Sep 2017 05:18:17 +0000

Dear All,

I am calculating thermal conductivity of gas based nanofluid using Green Kubo. The problem I am facing is even for larger sampling parameters i.e. p = 40000 and s =1 or 2 my HCACF is not converging . I have used the time step of 1 fs. Also, in lammps the green kubo code does not subtract enthalpy term from the convective term. How do I subtract that enthalpy term to get the correct thermal conductivity value? Any kind of help os highly appreciable Sir. 
Thanks and Regards
Zeeshan Ahmed