Theory-VASP and simple tight binding - ppt download

GaAs Comparison Cardona, Phys. Rev. B 38, 1806–1827 (1988)
Electron poor materials research group. Group meeting Sept. 08, Theory-VASP and simple tight binding.
k.p method. matching to band gaps at certain k-points.
pressure coupled psuedo-potential.
emperical psuedo potential.
WIEN2k. augmented plain wave and local orbital.
ZnSe Comparison Cui, Journal of Alloys and Compounds 472 (2009) 294–298 plane wave, US and GGA
ZnTe Comparison Khenata,Computational Materials Science 38 29–38 (2006) WIEN2k, augmented plane wave with local orbitals.
Compound Properties currently all calculated with LDA
Tight Binding according to Harris. Electronic Structure and the Properties of Solids, Harris Tight Binding on the LEFT. VASP USING LDA ON THE RIGHT.

Density-Functional Tight-Binding Parameters for Bulk Zirconium: A Case Study for Repulsive Potentials

Introduction to Tight-Binding - ppt download

Accuracy of Localized Resolution of the Identity in Periodic Hybrid Functional Calculations with Numerical Atomic Orbitals

Introduction to Tight-Binding - ppt download

image.slidesharecdn.com/tightbinding-150112225344

Dft calculation by vasp

Kinetic trapping organizes actin filaments within liquid-like protein droplets

Density-Functional Tight-Binding (DFTB) as fast approximate DFT method - An introduction

Dft calculation by vasp

Tight binding

Introduction to Tight-Binding - ppt download

Dft calculation by vasp

Introduction to Tight-Binding - ppt download

Introduction to Tight-Binding - ppt download

Theory-VASP and simple tight binding - ppt download