2016 | PARADIM

Communicating Creative Ideas

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Tutorial 5.1 Band structure and visualization of Kohn-Sham wavefunctions

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Tutorial 4.1 Phonon Dispersion

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Tutorial 3.1 Automatic optimization of crystal structure and elastic constants

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Tutorial 2.1 Equilibrium structure of a diatomic molecule and a bulk crystal

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Tutorial 1.1 Connecting to MARCC, basic Linux commands, and a test run

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5.2) Limitations of DFT and post-DFT methods- Lecture 5.2

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5.1) Band structures & optical spectra - Lecture 5.1

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4.2) IR spectra & dielectric constants - Lecture 4.2

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4.1) Vibrational properties and phonons in DFT (Lecture 4.1)

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