Elk 2.1.25

Directory list:

build01 Intel 13 build of 2.1.25.

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 is Elk version 2.1.25 downloaded from [SourceForge]

Version 2 is new major release of Elk. Please check the release notes on the Elk web site carefully. Some defaults settings and parameters names have changed, and it is not backwards compatible (existing calculations have been restarted from scratch).

Some of the improvements in v. 2:

  • Phonons by DFPT.
  • Improvements to BSE and TDDFT
  • Speed optimization and more MPI parallelism.
  • LibXC version 2