[Pw_forum] vc-relax in QE 4.3.2
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.
Department of Physics
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users