Dear PWSCF developers,
I have a quick question. If I use ultrasoft pseudopotential (USPP),
is the stress correctly calculated? If I remember correctly, the stress is
not correctly calculated with USPP in the old version of QE. Is it solved in
the new version 4.1? If I turn on Hubbard U, there is another contribution
to the internal stress tensor. Is that contribution correctly calculated if
I use USPP?
Thank you very much.
Hanghui Chen
Department of Physics
Yale University
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20100213/e0796033/attachment.htm
