[Pw_forum] stress

hanghui chen chenhanghuipwscf at gmail.com
Sat Feb 13 17:30:20 CET 2010


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
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