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