Plane wave density functional theory using Julia programming language
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Updated
Jan 30, 2025 - Julia
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
Pseudopotential Studio
SPMS table of pseudopotentials
The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials
Computes the electronic band structure of Zinc Blende semiconductor
Pseudopotential converter from upf to psp8
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)
Bandstructure calculations using the empirical pseudopotential method.
Modernized version of a pseudopotential generation code
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.
Projector Augmented Wave Dataset For Actinides
A Julia package that provides operations of a database with pseudopotential datasets
A program to generate norm conserving pseudopotentials for ab-initio calculations
SG15 pseudopotentials in psp8 converted from the upf files
All in one place to find various pseudopotentials.
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