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Accelrys plane-wave pseudopotential code castep
Plane Wave Pseudopotential Code Castep, supplied by Accelrys, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/pseudopotential+plane-wave+code+castep/castep+plane+wave+code/10__1016_slash_j__physb__2008__10__035-31-9-14
Average 90 stars, based on 1 article reviews
plane-wave pseudopotential code castep - by Bioz Stars, 2026-10
90/100 stars

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Article Title: Structure of Ge–O complexes in Czochralski silicon
Article Snippet: The structures of Ge–O complexes in germanium-doped Czochralski (CZ) silicon wafers have been investigated by means of density functional theory (DFT).. The calculations present the fact that the Ge–O complexes can be formed with the absence of vacancy during low-temperature thermal cycles so that they can enhance oxygen precipitation.. Furthermore, the total energy of different Ge–O complexes is calculated, and then optimized and stable structure of Ge–O complexes is suggested.

Article Title: Arsenate incorporation in gypsum probed by neutron, X-ray scattering and density functional theory modeling.
Article Snippet: However, relative variations of charge and bond populations of pure and doped models can be used to understand the underlying charge redistribution processes.40–42 For all the MPAs calculations we used a commercial version of the plane wave pseudopotential code CASTEP., as implemented in Materials Studio (Accelrys Inc.).



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