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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
PPT - Quantum Transport PowerPoint Presentation, free download - ID:5100548
Dft calculation by vasp
Tight binding
Lagrangian-Based Minimal-Overhead Batching Scheme for the Efficient Integral-Direct Evaluation of the RPA Correlation Energy
Theory-VASP and simple tight binding - ppt download
Wannier90: Band Structures, Tips and Tricks
Tight binding
Introduction to Tight-Binding - ppt download
Tony Paxton: Introduction to the tight binding approximation. Lecture 2, Applications
image.slidesharecdn.com/tightbinding-150112225344
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PPT - Electron/Photon group overview PowerPoint Presentation, free download - ID:4762270
Introduction to Tight-Binding - ppt download
