[Pw_forum] A question about symmetry

[Caloma Trumica]

Dear all,

I have a general question about the symmetry in the Quantum espresso
program.

For quantities such as the Hellmann-Feynman forces and the stress tensor,
why do we need to divide they by the total number of symmetry operations.

Dose it mean that any quantity reported in an electronic structure code is
an average value?

Thank you.

Andy Lau

Hong Kong
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120930/60278468/attachment.html>