A tool for generating atomic pseudopotentials within a Density-Functional Theory framework.
APE (Atomic Pseudopotentials Engine) is a computer package designed to generate and test norm-conserving pseudo-potentials within Density Functional Theory. The generated pseudo-potentials 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. APE can generate pseudopotential files for use with SIESTA, Abinit, Octopus, and Quantum Espresso.
APE (Atomic Pseudopotentials Engine) is a computer package designed to generate and test norm-conserving pseudo-potentials within Density Functional Theory. The generated pseudo-potentials 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. APE can generate pseudopotential files for use with SIESTA, Abinit, Octopus, and Quantum Espresso.
To install ape, run the following command in macOS terminal (Applications->Utilities->Terminal)
sudo port install ape
To see what files were installed by ape, run:
port contents ape
To later upgrade ape, run:
sudo port selfupdate && sudo port upgrade ape
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