wannier90: Tutorial

← Back to document page

wannier90 : TutorialVersion January 2017ContentsPreliminaries3Parallel execution3About this tutorial4Contact us41: Gallium Arsenide MLWFs for the valence bands52: Lead Wannier-interpolated Fermi surface63: Silicon Disentangled MLWFs64: Copper Fermi surface, orbital character of energy bands8Examples Using thepwscfInterface105: Diamond MLWFs for the valence bands106: Copper Fermi surface117: Silane (SiH4) Molecular MLWFs using -point sampling128: Iron Spin-polarized WFs, DOS, projected WFs versus MLWFs139: Cubic BaTiO31510: Graphite1712wannier90: Tutorial11: Silicon Valence and low-lying conduction states1712: Benzene Valence and low-lying conduction states1913: (5,5) Carbon Nanotube Transport properties2014: Linear Sodium Chain Transport properties21

wannier90: Tutorial 3 Preliminaries Welcome to wannier90! The examples contained in this tutorial are designed to help you become familiarwiththeprocedureofgenerating ...

  Tutorials, Wannier90