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Ab initio Calculations Using Wien2k Code

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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/msg12683.html

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12721.html


To learn about studing the thin film check the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15688.html


To learn to study the freestanding Pb slab check the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03494.html



To learn studing the BaF2 layer check the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11387.html


To learn to study the 2D structure (example of graphene) check the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06126.html


To learn how to use Structeditor to construct the Surface structure check the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08869.html


To learn how to study the convergence of the slab calculations check the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03684.html


To learn how to study how to prepare a thin film on substrate check the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05611.html


To learn how to construct a trilayer structure using Structeditor check the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08528.html


To learn how to study the Graphene check the following link:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04653.html


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