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HomeVideosElk Tutorial - Exercises

Elk Tutorial - Exercises

Abderrahmane REGGAD October 02, 2021

Exercise 1

Exercise2

Exercise3

Exercise4

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My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
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is it possble to apply external pressure

K-POINTS

Elk (structure optimization)

Elk Tutorial - Exercises

Convergence problems for PdS2

Elk (LDA+U calculation, LDA+U(Around mean field(AMF) method))

How important is autolinengy?

Confusion while doing the Band Structure calculation

Elk (Electric Density calculation)

Elk and linear algebra libraries

Pageviews past week

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Electronic Calculations

Structural Calculations

Magnetic Calculations

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