wannier-functions | Topic | Ecosyste.ms: Repos

Topic: "wannier-functions"

wannier-developers/wannier90

Official repository of the Wannier90 code

Language: Fortran - Size: 1.02 GB - Last synced at: about 1 month ago - Pushed at: about 2 months ago - Stars: 267 - Forks: 149

qiaojunfeng/Wannier.jl

A playground for Wannier functions

Language: Julia - Size: 7.46 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 36 - Forks: 11

PatrickJTaylor/pengWann

A lightweight Python package for calculating descriptors of chemical bonding and local electronic structure from Wannier functions.

Language: Python - Size: 93.2 MB - Last synced at: 18 days ago - Pushed at: 18 days ago - Stars: 8 - Forks: 1

irukoa/SsTC

(S)olid (s)tate (T)ask (C)onstructor: A high-perfomance computing oriented library to create integration and sampling tasks in the BZ of a crystal for k-dependent functions.

Language: Fortran - Size: 9.11 MB - Last synced at: 2 months ago - Pushed at: over 1 year ago - Stars: 6 - Forks: 1

emanuelm33/BinPo

BinPo: A code for electronic properties of 2D electron systems

Language: Python - Size: 22.3 MB - Last synced at: over 2 years ago - Pushed at: almost 3 years ago - Stars: 6 - Forks: 2

toschaefer/Lucon.jl

loss optimization under unitary constraint

Language: Julia - Size: 319 KB - Last synced at: 5 months ago - Pushed at: 7 months ago - Stars: 2 - Forks: 0

XiaoJiang-Phy/RecenterPolaronXSF

Python tool to recenter polaron real-space distributions (wavefunctions/densities) in XSF files, particularly those generated from ab initio calculations using EPW. Fixes periodic boundary condition (PBC) wrapping artifacts for visualization by applying a circular shift (NumPy) to the DATAGRID_3D block.

Language: Python - Size: 10.5 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 1 - Forks: 0