[Pw_forum] how to calculate the total energy under load ?

Paolo Giannozzi giannozz at democritos.it
Fri Feb 3 10:09:28 CET 2012

On Thu, 2012-02-02 at 16:20 -0500, chengyu yang wrote:

> Can Quantum Espresso calculate the movement of atoms under load?

"under load" ? what do you mean: under an external strain?

Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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