pseudopotentials

Plane wave density functional theory using Julia programming language

A library of ultrasoft and PAW pseudopotentials

Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format

Python framework for generating and validating pseudo potentials

The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials

SPMS table of pseudopotentials

Pseudopotential Studio

Computes the electronic band structure of Zinc Blende semiconductor

Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format

Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)

Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software

Pseudopotential converter from upf to psp8

A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.

Modernized version of a pseudopotential generation code

Bandstructure calculations using the empirical pseudopotential method.

Atomic structure calculations

Projector augmented wave dataset for the actinides

All in one place to find various pseudopotentials.

A Julia package that provides operations of a database with pseudopotential datasets