Wien2k
Thermodynamics of Point Defects in Solids with WIEN2k and Spinney
http://www.wien2k.at/events/ws2019/Arrigoni_Spinney.pdf
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Tutorials
How to calculate the properties of an isolated neutral vacancy
We present the vacancy isolated created in the FCC lattice of silicon Si. The original silicon unit cell consists of two atoms in FCC structu…
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Wien mailing list
Applying a perpendicular electric field to a slab (from wien mailing list)
[Wien] zigzag potential interpretation Stefaan Cottenier Tue, 02 Jan 2018 05:35:04 -0800 Dear wien2k mailing list, I know that the Ber…
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Wien mailing list
Learning to study the non bulk structure properties according to wien mailing list
To learn how to study the Si 100 layer saturated with H check the following link: https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg…
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Video
How to do geometrical optimization of a surface structure
In this tutorial we present how to construct the surface structure using the the slab model and how to do geometrical optimization using 2 methods (…
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Video
How to construct Graphene structure and calculate its electronic properties
In this tutorial we will present how to construct the structure of the graphene and calculate its electronic properties. First: The graphene is…
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Wien mailing list
How to create the surface structure using the slab model (2D) of Chromium
We will create the surface structure using the slab (2D) model according to the information found in the following lecture on page 29. http://susi…
Read more![[Wien] Thin film calculation](https://blogger.googleusercontent.com/img/b/R29vZ2xl/AVvXsEhuhKr4WBVWW0JOVMSRLcwrUWdmQPedYdbIdQ3Q3vukwGMltPlH8K36AD7Cu8juujL1bwFwa3LemeLbURKpKEsifA0XwpkkWwIybaNUNspTCZyqH43XABlYEzRDySolzJzj8vephlOO9W2z/w640/thin-films-in-nano-particles-1-638.jpg)
Non-Bulk Calculations
[Wien] Thin film calculation
[Wien] Thin film calculation DibyaR Prakash Sun, 22 Dec 2013 20:20:58 -0800 What is the procedure to make a thin film and to do its cal…
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Non-Bulk Calculations
The number of atoms created with the Supercell tool
Introduction: We take the examples of P,B and FCC lattices in cubic structures and the different space groups related. A-Elements: 1-P lattice…
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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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