[Pw_forum] vc-relax in QE 4.3.2

Hanghui Chen chenhanghuipwscf at gmail.com
Tue Nov 15 23:01:19 CET 2011


To the QE developers,
    In the new version of 4.3.2 Quantum Espresso, if I use 'vc-relax', I
find that at the end of relaxation, the code does a new self-consistent
calculation. However, if I turn on Hubbard U, the code crashes at the last
self-consistent calculation due to some segmentation fault. If no Hubbard U
is used, then everything is fine. I am wondering whether any one else on
the forum has similar experiences and whether this might be a bug in the
code or due to some compilation problems.
    Thank you.

Hanghui Chen
Department of Physics
Yale University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20111115/a05f52a3/attachment.html>


More information about the users mailing list