Skip to content
View npaulish's full-sized avatar

Highlights

  • Pro

Block or report npaulish

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
Showing results

AiiDAlab App for Quantum ESPRESSO

Python 13 15 Updated Jan 5, 2025

A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code

Python 16 18 Updated Dec 6, 2024

Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time

Python 8 10 Updated Dec 10, 2024

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

Fortran 578 281 Updated Oct 21, 2024

AiiDA plugin for the Wannier90 code

Python 9 16 Updated May 10, 2024

The official repository for the AiiDA code

Python 440 191 Updated Jan 1, 2025

AiiDA plugin that makes running shell commands easy.

Python 14 7 Updated Dec 10, 2024

Official repository of the Wannier90 code

Roff 246 144 Updated Nov 14, 2024

Official repository of the Wannier90 code

Roff 3 2 Updated Jun 24, 2024

AiiDA Web API for data queries and workflow management.

Python 1 Updated Oct 26, 2023

Plotting extension for Wannier.jl

Julia 2 2 Updated Sep 22, 2024

A library of ultrasoft and PAW pseudopotentials

Shell 74 21 Updated Sep 16, 2022

The official AiiDA plugin for Quantum ESPRESSO

Python 56 82 Updated Nov 29, 2024

A repository hosting materials used during Wannier-related tutorials and schools

Jupyter Notebook 40 33 Updated Jun 9, 2024

A Julia package for reading/writing wannier90 file formats

Julia 8 5 Updated Dec 5, 2024

A playground for Wannier functions

Julia 35 8 Updated Oct 16, 2024

Density-functional toolkit

Julia 449 89 Updated Jan 4, 2025

Domain specific library for electronic structure calculations

C++ 130 42 Updated Jan 5, 2025

Material for some courses

2 Updated Jun 10, 2024

Material of the seminar "Julia for Materials Modelling"

Julia 30 2 Updated Jun 23, 2023

Minimal template for documenting (DOC) a project with a report and presentation in LaTeX.

TeX 8 Updated Oct 19, 2022