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Rui Yuan

Why are there only three components in the stress tensor?

I try to simulation nickel under stress by changing the input cell geometry. However, in the data section of the final result, under “—- Final stress —-”, there are only thee numbers for the stress tensor (in the unit of kbar). There should be 3 x3 = 9 numbers in the stress tensor, as shown when I simulated aluminum. However, there are only three numbers in the stress tensor for nickel. How is that even possible? What could possibly be wrong?

  1. Quantum ESPRESSO
  2. stress tensor
  3. tool:dftqe

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    Benjamin P Haley

    Hi,



       Sorry for the long delay.  What simulation did you use?  Do you have the input files or the input parameters?

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