[Pw_forum] stress

[Paolo Giannozzi]

On Feb 13, 2010, at 17:30 , hanghui chen wrote:

> If I remember correctly, the stress is not correctly calculated  
> with USPP in
> the old version of QE.

I don't know what you remember, but the last bug I remember in stress
calculation dates back to several years ago

>  If I turn on Hubbard U, there is another contribution to the  
> internal stress
> tensor. Is that contribution correctly calculated if I use USPP?

it should be. If you think or find it isn't, please provide some  
evidence

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222