Quantum Espresso 5.0.2


Directory list:

VersionDescription
build01 AVX optimized. No OpenMP!

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.
Phonons calculations are broken in 5.0.2! Use later versions for phonon calculations!

The source code for version was downloaded from QE home page on 2013–02–01.

I couldn’t find the official release notes anywhere on the web page. The best I could find was here.

News in 5.0.2:

  • Improvements to DFT+U+J.
  • Orbital magnetization (experimental support)