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Showing posts with the label Castep codeShow All
First-principles simulation: ideas, illustrations and the CASTEP code Castep code

First-principles simulation: ideas, illustrations and the CASTEP code

Abderrahmane Al jazairi 14:16

by M D Segall , Philip J D Lindan , M J Probert , C J Pickard , S J Clark , M C Payne Abstract First-principles simulation, meaning density-f…

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First principles methods using CASTEP Castep code

First principles methods using CASTEP

Abderrahmane Al jazairi 13:32

Stewart J. Clark Matthew Segall Chris J. Pickard Show all 7 authors Mike C. Payne Abstract The CASTEP code for first principles electronic s…

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Insight into the structural, electronic and elastic properties of AInQ2 (A: K, Rb and Q: S, Se, Te) layered structures from first-principles calculations Structural Properties

Insight into the structural, electronic and elastic properties of AInQ2 (A: K, Rb and Q: S, Se, Te) layered structures from first-principles calculations

Abderrahmane Al jazairi 13:32

Gh . Belgoumri a b A. Bentabet b R. Khenata c Bouhadda d A. Benmakhlouf b D.P. Rai e N. Benmekideche b S. Bounab b a Département de physique, Fa…

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