v 2.3.1

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.


To install ape, paste this in macOS terminal after installing MacPorts

sudo port install ape

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