- Wien2k
- Analysis and Interpretation
Analysis and InterpretationPresentation of ElATools A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
Analysis and InterpretationThe analysis of the Optical Properties of the compound Bi2S3 ( from my memoir of Magister)
Analysis and InterpretationThe analysis of the Electron Density of the compound Bi2S3 ( from my memoir of Magister)
Analysis and InterpretationThe analysis of the Density of States of the compound Bi2S3 ( from my memoir of Magister)
Analysis and InterpretationThe analysis of the Band Structure of the compound Bi2S3 ( from my memoir of Magister)
- About template
mBJ Calculation
[Wien] mBJ+SOC
![[Wien] Steps to perform volume optimization of orthorhombic structure](data:image/jpeg;base64,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)
Geometrical optimization[Wien] Steps to perform volume optimization of orthorhombic structure
Phonon CalculationsHow to calculate the Phonon Band Structure using the Phonopy code
Phonon CalculationsHow to install Phonopy Code to calculate Phonon and Thermal properties
Doping and Alloying Calculations
How to determine all the different configurations when doing alloying or doping
Non Bulk StructuresHow to create the structure of 14 atom nanoparticle
Polarization CalculationsTutorial 5: Weyl points characterization in TaAs
Polarization CalculationsTutorial 4: Polarization in GaN
Polarization Calculations
Tutorial 3: Non orthogonal lattice vectors
Pressure and Temperature EffectHow to study the effect of pressure on lattice parameters of orthorhombic structure based on the Murnagham equation
[Wien] mBJ+SOC
- Geometrical optimization
[Wien] Steps to perform volume optimization of orthorhombic structure
- Phonon Calculations
How to calculate the Phonon Band Structure using the Phonopy code
- Phonon Calculations
How to install Phonopy Code to calculate Phonon and Thermal properties
Discussions in wien mail list
Tags:
You may like these posts
[Wien] mBJ+SOC
- Geometrical optimization
[Wien] Steps to perform volume optimization of orthorhombic structure
Electronic Calculations
[Wien] DOS for FSM calc - problem
My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
Learn More →
![[Wien] What is the significance of flat bands](https://www.mail-archive.com/logo.png){kind=logo}
![[Wien] Ghost band error in Na2O](https://i.ytimg.com/vi/4kNetd_lISI/maxresdefault.jpg)
![[Wien] After supercell, add impurity... x sgroup change space group](https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhFdYmjT9OBsCz64bl8QOk6EZ2LNfgIx8tWpIi0V1-J5yDkAv-f96zgFNCRpOKt_uO7NgmyVq4oqciuThyB-DWHft7iGkrFZ2luD0UN9TLKNzaDPpxynGZfs1Pi2M0gGzdwH2V7tndtZvhQ/w680/supercell+summarization.png)
![[Wien] Error during abc & gamma (4D) optimization of a monoclinic system](https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEgvARKz3GwTOAj2PYklvZjqinqLEoZheFVGTQONZzGn-btO8ewy4ozQScp6GNHCCda5hoWsPhRmFQAkNo08uTunbO9X0PwVSltoIhWb4gK3oEhF6hgFSfy6uoHPUO-jUXJYrpHnqRLdS_pI/s72-w200-h98-c/monoclinic.png)
![[Wien] How to set a specific spin state](https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhLy8wc3M4__3kiefSnmt5h9AQaxVADXj_I9jNSh5hZKvMP2AYqmzrRccPvYf03_7031STNQTC1XYieWhMM5xwoMcmg7DaOeVtl4xNTOQokEg9KqOB4eqs4jAIESy2pjsHS9hU2XtxMzClu/s72-w400-h110-c/Example-of-high-spin-S-5-2-and-low-spin-S-1-2-configurations-for-a-3d-5-metal-ion.png)
0 Comments