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Ab initio Calculations Using Elk Code

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HomeVideosLattice constant calculation using ELK code (FCC)

Lattice constant calculation using ELK code (FCC)

Abderrahmane REGGAD September 26, 2021

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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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Hands on tutorials for density functional theory using ELK code

September 25, 2021

difference between task = 0 and task = 1

October 04, 2021

Elk Code FAQ

October 02, 2021

Convert EOS output units to eV-Ang³

October 02, 2021

How to resume AFM calculations and FM + hybrid potential

October 03, 2021

is it possble to apply external pressure

October 02, 2021

About DFT+U Calculation of ZnO Energy gap

October 02, 2021

About the units used in PHONON.OUT

October 02, 2021

Wavefunction plot

October 02, 2021

Set k-point for low-dimensional systems with ngridk

October 02, 2021

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Structural Calculations

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Magnetic Calculations

3/Magnetic Calculations/post-list

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Lattice constant calculation using ELK code (FCC)

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Popular Posts

Hands on tutorials for density functional theory using ELK code

difference between task = 0 and task = 1

Elk Code FAQ

Convert EOS output units to eV-Ang³

How to resume AFM calculations and FM + hybrid potential

is it possble to apply external pressure

About DFT+U Calculation of ZnO Energy gap

About the units used in PHONON.OUT

Wavefunction plot

Set k-point for low-dimensional systems with ngridk

Pageviews past week

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You may contact me here

Electronic Calculations

Structural Calculations

Magnetic Calculations

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