[lammps-users] compute thermal conductivity of gold

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1

Hello

I compute thermal conductivity of gold.

I have two questions.

Please help me.

1-How long must I run program?

Is enough 1000ps?

2- How long must I compute “correlate.py flux.log -c 3 -s 200”?

Is enough 200?

Thanks

2

You must run the system till the integration of autocorrelation function becomes constant.