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DAY 11

Ari Seitsonen, Davide Ceresoli

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Thumbnail of The GIPAW-NMR method (Part 1)
The GIPAW-NMR method (Part 1)
Introduction to NMR spectroscopy. Chemical shift, electric field gradients. How to analyze the results and compare to experiments. Implementation: GIPAW formalism and extension to solids.
Owner: Roberto Bendinelli
Created on Aug 17, 2025
Thumbnail of The GIPAW-NMR method (Part 2)
The GIPAW-NMR method (Part 2)
Introduction to NMR spectroscopy. Chemical shift, electric field gradients. How to analyze the results and compare to experiments. Implementation: GIPAW formalism and extension to solids.
Owner: Roberto Bendinelli
Created on Aug 17, 2025
Thumbnail of Ab-initio EPR spectroscopy
Ab-initio EPR spectroscopy
Introduction to EPR spectroscopy. The spin hamiltonian. Calculation of EPR parameters: g-tensor and hyperfine couplings. Examples. Converse approach to NMR and EPR spectroscopy. How to run the code, generation of GIPAW pseudopotentials, how to analyze the output.
Owner: Roberto Bendinelli
Created on Aug 17, 2025

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