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Ab initio Calculations Using Wien2k Code

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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

HomeWien2kHow to do a volume optimization for a tetragonal structure :

How to do a volume optimization for a tetragonal structure :

Abderrahmane Al jazairi 16:02:00

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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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