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HomeVideosElk Tutorial - Exercises

Elk Tutorial - Exercises

Abderrahmane REGGAD October 02, 2021

Exercise 1

Exercise2

Exercise3

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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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Dependence of the total energy on the number of empty states

Elk (structure optimization)

Elk Tutorial - Exercises

Convergence problems for PdS2

error when writing Charge Density

Reducebf and bfcmt Method for Magnetic Calculation References

The Elk Code

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

Elk (TDDFT(ALDA) calculation)

How to download and install the Elk code

Pageviews past week

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Electronic Calculations

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