Calculation and interpretations of NMR Chemical shifts - WIEN 2k

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Calculation and interpretations of NMR Chemical shifts - WIEN 2k

Calculation and interpretations of NMR Chemical shifts - WIEN 2k

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<strong>NMR</strong> <strong>shifts</strong> for F, O, Br, ClFOBrCl

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Non-collinear magnetism in WIEN2k

Installtion of Wien2k (P.Blaha)

A Package for calculating elastic tensors of cubic - WIEN 2k

userguide WIEN2WANNIER: From linearized augmented ... - WIEN 2k

2 - WIEN 2k

2. Optical Properties of Solids - WIEN 2k

A Package for calculating elastic tensors of cubic - WIEN 2k

Introduction to Solid State theory, DFT and the APW-method - WIEN 2k

Tutorial 1: Spontaneous polarization in BaTiO3 (approx ... - WIEN 2k

Relativistic effects, spin-orbit coupling and non-collinear ... - WIEN 2k

(spin-orbit) and - WIEN 2k

Calculating the effective U in APW methods. NiO - WIEN 2k

Elastic constants calculation - WIEN 2k

A Package for calculating elastic tensors of cubic - WIEN 2k

Induced current in LAPWInduced current field for BaO (fcc) , B ext in (001)

<strong>NMR</strong> <strong>shifts</strong> for F, O, Br, ClFOBrCl

Page 2 and 3: NMR spectroscopy
Page 4 and 5: NMR HamiltonianZeeman HamiltonianH
Page 6: Biot - Savart lawThe induced magnet
Page 9: Test of accuracy: Ar atom• the cu
Page 13 and 14: DOS of alkali fluorides (CsF)metal-
Page 15 and 16: Decomposition of NMR shift• decom
Page 17 and 18: F-p band contribution o (1) |F, l=2
Page 19 and 20: onding / antibonding F-p / Me-p int
Page 21 and 22: Interactions relevant for NMRchemic
Page 23 and 24: Effect of bond distance on the shie
Page 25 and 26: The “slope” - problemexp. vs.
Page 27 and 28: the slope - problemBJ-potential (OE
Page 29: AcknowledgementRobert Laskowski (TU