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Electronic Calculations
How to calculate and plot the substates eg and t2g of the d state of atom Ti in TiC
In the previous tutorial ( How to calculate the Partial and Total DOS of Titanium Carbide ) we have plotted the s,p and d states of atoms Ti and C i…
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Electronic Calculations
How to calculate the Partial and Total DOS of Titanium Carbide
We need only the input file elk.in ! Ground state run with task 0 starting from the atomic densities ! Resumption of ground-state run with task 1 usi…
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Electronic Calculations
How to calculate the Band structure of Silicon
We need only the input file elk.in ! Band structure of silicon. The points listed after plot1d below are the ! vertices joined in the band structure…
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SCF Calculations
How to do the SCF calculation of Aluminium
To download and install Elk code click on the following link: How to download and install the Elk code To do a scf calculation for Aluminium we…
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Installation
How to download and install the Elk code
This tutorial is inspired from the following video: https://elk-algerien1970.blogspot.com/2021/09/hands-on-tutorials-for-density.html I will …
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Hello, my name is Dr Abderrahmane Reggad. I'm a 53 year old and I am a researcher in materials' sciences.
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