Theory-VASP and simple tight binding - ppt download
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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.
Introduction to Tight-Binding - ppt download
PPT - Electron poor materials research group PowerPoint Presentation, free download - ID:3432664
Accuracy of Localized Resolution of the Identity in Periodic Hybrid Functional Calculations with Numerical Atomic Orbitals
PPT - Alkenes like CO are poor 2-electron donors. PowerPoint Presentation - ID:4750415
Theory-VASP and simple tight binding - ppt download
Dft calculation by vasp
Theory-VASP and simple tight binding - ppt download
Density-Functional Tight-Binding Parameters for Bulk Zirconium: A Case Study for Repulsive Potentials
PPT - Electron poor materials research group PowerPoint Presentation, free download - ID:5445012
Kinetic trapping organizes actin filaments within liquid-like protein droplets
