My own devel version of Quantum-Espresso
-
Updated
Feb 9, 2021 - Fortran
My own devel version of Quantum-Espresso
A Julia package that provides operations of a database with pseudopotential datasets
All in one place to find various pseudopotentials.
Modernized version of a pseudopotential generation code
Pseudopotential converter from upf to psp8
Projector Augmented Wave Dataset For Actinides
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.
SG15 pseudopotentials in psp8 converted from the upf files
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
Bandstructure calculations using the empirical pseudopotential method.
Computes the electronic band structure of Zinc Blende semiconductor
SPMS table of pseudopotentials
Pseudopotential Studio
The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials
A library of ultrasoft and PAW pseudopotentials
Plane wave density functional theory using Julia programming language
Python framework for generating and validating pseudo potentials
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
Add a description, image, and links to the pseudopotentials topic page so that developers can more easily learn about it.
To associate your repository with the pseudopotentials topic, visit your repo's landing page and select "manage topics."