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Read moreIn this tutorial we will present the magnetic structure of type I which is the most stable structure for the transition metal compounds crystallizin…
Read moreThis question is made by many researchers dealing with the ab-inition calculations and especially when working with the wien2k code. To know …
Read moreAnswering a question about the application of the DFT+U+SO method, a chemist made this statement. Re: [Wien] LDA+U +SOC calculations Xavie…
Read moreThe following diagram explains how to determine the coordinates of the plane of projection accordinf to the coordinates of the unit cell for the pur…
Read moreThe procedure to calculate the cohesive and formation energies is taken from the following article: http://sci-hub.tw/http://www.sciencedirect…
Read more[Wien] Magnetocrystalline anisotropy Xavier Rocquefelte Tue, 09 Jan 2018 00:45:34 -0800 Dear Colleagues I recently obtained a surprisin…
Read moreWe present the vacancy isolated created in the FCC lattice of silicon Si. The original silicon unit cell consists of two atoms in FCC structu…
Read more[Wien] zigzag potential interpretation Stefaan Cottenier Tue, 02 Jan 2018 05:35:04 -0800 Dear wien2k mailing list, I know that the Ber…
Read moreHello, my name is Dr Abderrahmane Reggad. I'm a 53 year old and I am a researcher in materials' sciences.
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