APE - Atomic Pseudopotentials Engine

The Atomic Pseudopotential Engine (APE) is a computer package designed to generate and test norm-conserving pseudopotentials within Density Functional Theory. The generated pseudopotentials can be either non-relativistic, scalar relativistic or fully relativistic and can explicitly include semi-core states. A wide range of exchange-correlation functionals is included through Libxc.

APE can output the pseudopotentials in a variety of file formats suitable to use in many of the most popular DFT codes. These include (in no particular order):

APE is written in Fortran and is distributed under the GPLv2. Contributions are welcome.

More details about APE can be found in the manual and the following article: M. Oliveira and F. Nogueira, Comput. Phys. Comm. 178, 524 (2008).

Questions about the code can be sent to the APE-users mailing list. Bug reports and patches should be submited over Gitlab.