Quantum Espresso 5.0.3


Directory list:

VersionDescription
build01 AVX optimized. No OpenMP!
build02 test and debug version with -O1 -g
build03 support for more k-points
build04 small pw.x patch

Level of support

Tier 2 NSC has only limited experience with this software, but we will try to help as much as possible. We have ran some tests, for example, if the program comes with a test suite, but they may be far from exhaustive. We will try to install and test new versions, as soon as we can.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

This version 5.0.3 was downloaded from QE home page on 2013–05–27, in the form of a patch applied to version 5.0.2:

patch -p1 < espresso-5.0.2-5.0.3.diff

It corrects version 5.0.2, in particular the behaviour for phonon calculations (a previously released patch was faulty).