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Ab initio Calculations Using Wien2k Code

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Wien2k
Analysis and Interpretation
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Wien2k
Analysis and Interpretation
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mBJ Calculation

[Wien] mBJ+SOC

[Wien] Steps to perform volume optimization of orthorhombic structure

Geometrical optimization

[Wien] Steps to perform volume optimization of orthorhombic structure

How to calculate the Phonon Band Structure using the Phonopy code

Phonon Calculations

How to calculate the Phonon Band Structure using the Phonopy code

How to install Phonopy Code to calculate Phonon and Thermal properties

Phonon Calculations

How to install Phonopy Code to calculate Phonon and Thermal properties

How to determine all the different configurations when doing alloying or doping

Doping and Alloying Calculations

How to determine all the different configurations when doing alloying or doping

How to create the structure of 14 atom nanoparticle

Non Bulk Structures

How to create the structure of 14 atom nanoparticle

Tutorial 5: Weyl points characterization in TaAs

Polarization Calculations

Tutorial 5: Weyl points characterization in TaAs

Tutorial 4: Polarization in GaN

Polarization Calculations

Tutorial 4: Polarization in GaN

Tutorial 3: Non orthogonal lattice vectors

Polarization Calculations

Tutorial 3: Non orthogonal lattice vectors

How to study the effect of pressure on lattice parameters of orthorhombic structure based on the Murnagham equation

Pressure and Temperature Effect

How to study the effect of pressure on lattice parameters of orthorhombic structure based on the Murnagham equation

mBJ Calculation

[Wien] mBJ+SOC

[Wien] Steps to perform volume optimization of orthorhombic structure

Geometrical optimization

[Wien] Steps to perform volume optimization of orthorhombic structure

How to calculate the Phonon Band Structure using the Phonopy code

Phonon Calculations

How to calculate the Phonon Band Structure using the Phonopy code

How to install Phonopy Code to calculate Phonon and Thermal properties

Phonon Calculations

How to install Phonopy Code to calculate Phonon and Thermal properties

HomeDFT-DMFT CalculationsIntroduction to Dynamical Mean-Field Theory

Introduction to Dynamical Mean-Field Theory

Abderrahmane Al jazairi 18:29:00

http://www.wien2k.at/events/ws2019/jtomczak_dmft4wien2k_workshop.pdf

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DFT-DMFT Calculations

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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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Electronic Calculations

[Wien] DOS for FSM calc - problem
September 29, 2021
[Wien] What is the significance of flat bands
July 09, 2021
[Wien] Ghost band error in Na2O
July 09, 2021

Structural Calculations

How to study the effect of pressure on lattice parameters of orthorhombic structure based on the Murnagham equation
November 26, 2021
[Wien] After supercell, add impurity... x sgroup change space group
February 14, 2021
[Wien] Error during abc & gamma (4D) optimization of a monoclinic system
February 14, 2021

Magnetic Calculations

[Wien] DOS for FSM calc - problem
September 29, 2021
Calculations of Hyperfine parameters in solids based on DFT and using WIEN2k
July 15, 2021
[Wien] How to set a specific spin state
February 14, 2021

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