WANNIER90 Tutorials

This folder contains all the files needed to run the Wannier90 Tutorials. The instructions for how to run these may be found at.

The tutorials are as follows:

Tutorials with A and M matrices provided

tutorial01: Gallium Arsenide, valence bands

tutorial02: Lead, 4 lowest states; Fermi surface

tutorial03: Silicon, 4 valence bands + 4 conduction bands; interpolated band structure

tutorial04: Copper, states around the Fermi level; Fermi surface

Tutorials that use the pw2wannier90 interface with PWSCF

tutorial05: Diamond, valence states

tutorial06: Copper, states around the Fermi level; Fermi surface

tutorial07: Silane, valence states

tutorial08: Iron, states around the Fermi level

tutorial09: Barium Titanate

tutorial10: Graphite

tutorial11: Silicon

tutorial12: Benzene (gamma-only branch of algorithms)

tutorial13: (5,5) Carbon Nanotube (transport)

tutorial14: Linear chain of Na atoms (LCR transport)

tutorial15: (5,0) Carbon Nanotube (LCR transport)

tutorial16: Silicon (Boltzmann transport with BoltzWann module)

tutorial17: Iron - Spin-orbit-coupled bands and Fermi surface contours

tutorial18: Iron - Berry curvature and anomalous Hall conductivity

tutorial19: Iron - Orbital magnetization

tutorial20: LaVO3 - Disentanglement only in small (spherical) regions of k space

tutorial21: Gallium Arsenide - Symmetry-adapted Wannier functions

tutorial22: Copper - Symmetry-adapted Wannier functions

tutorial23: Silicon - G0W0 bands structure interpolation

tutorial24: Tellurium - gyrotropic effects

tutorial25: Gallium Arsenide - Nonlinear shift current

tutorial26: Gallium Arsenide - Selective localization and constrained centres

tutorial27: Silicon - Selected columns of density matrix algorithm for automated MLWFs

tutorial28: Diamond - plotting of MLWFs using Gaussian cube format and VESTA

tutorial29: Platinum - Berry curvature-like term and spin Hall conductivity

tutorial30: Gallium Arsenide - ac spin Hall conductivity

tutorial31: Platinum - Selected columns of density matrix algorithm for spinor wavefunctions

tutorial32: Tungsten - SCDM parameters from projectability

tutorial33: BC2N - Expansion coefficients for kdotp bands

tutorial34: Graphene - Projectability-disentangled Wannier functions

tutorial35: Silicon - Projectability-disentangled Wannier functions with custom projection functions