New version 2.2.0

We are happy to announce that a new release of APE is now available.

This version includes several bug fixes. In particular, detection of unbound states is now more robust. There are also some new features:

  • Added new pseudopotential test. It compares the all-electron and pseudo ionization potentials when sequentially removing all the electrons from the valence.
  • Added support for LATEPP output. Code kindly provided by Frank Zirkelbach.

New version 2.1.0

A new version of APE has been released. The main feature for this version is the support for Libxc 2.0. Besides that, a couple of bugs were also fixed.

This version can be found in the Downloads section of the webpage.

New version 2.0.2

A new version of APE has been released. This release fixes a couple of bugs, mainly related to the output of pseudopotentials in Abinit formats (see ChangeLog for more details).

This version can be found in the Downloads section of the webpage.

New version 2.0.0

We are happy to announce that a new release of APE is now available.

This version includes several new features, like fully-relativistic spin-polarized calculations, new run modes, improved support for Libxc, and an extended testsuite. Nevertheless, the main changes are not directly visible. Indeed, a big portion of our efforts was devoted to improve accuracy, speed, and reliability.

Notice that several input variables were renamed or had their meaning changed, so we advise you to carefully read the manual and to have a look at the sample input files before using this new version.

New version 1.1.2

A new version of APE has been released. This release fixes a bug in the exchange-correlation specification when using the UPF file format.

This version can be found in the Downloads section of the webpage.

New version 1.1.1

A new version of APE has been released. Besides a small bugfix, the main change in this version is the support of Libxc 1.1.

This version can be found in the Downloads section of the webpage.

New version 1.1.0 and new web page

After some time without any public release, but with active development going on behind the scenes, we are happy to announce version 1.1.0 of APE.

This new version includes several new features:

  • Improved generation of MRPP pseudopotentials;
  • Support for more xc functionals through libxc, including meta-GGA functionals;
  • New options for testing the pseudopotentials;
  • More information printed to the output files;
  • More output formats supported;
  • Many bug fixes;
  • etc.
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