Release of exciting Beryllium

We are happy to present exciting beryllium, the fourth major release of the exciting code.

  • Name: exciting beryllium (download exciting.beryllium.tar.gz)
  • Release date: 29 Nov 2013
  • Main new features:
    1. New species files describing the atoms are available: Old species files are now obsolete
    2. A new radial solver is used for the solution of the Schrödinger/Dirac equation
    3. The structure optimization has been drastically improved. The element structureoptimization is now obsolete and has been replaced by relax. More efficient algorithms are now available for performing the optimization. More details can be found in Simple examples of structure optimization
    4. The main output file INFO.OUT has a new and clearer format style. In addition, the amount of information given as output can be now controlled by setting the attribute outputlevel of the groundstate and relax elements.
    5. The attribute molecule of the element structure has been made obsolete. For molecule calculations see How to run calculations for simple molecules
    6. New interpolation scheme for phonon dispersion and density of state has been introduced
    7. Previous tutorials have been updated and new tutorials describing new functionalities have been added
    8. All tutorials scripts are now included in the exciting distribution
  • Tutorials for beryllium

In order to compile exciting beryllium, read Tutorial scripts and environment variables and How to compile exciting.

All previous releases of exciting can be found here.

November 2013
The exciting team
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