First principles methods using CASTEP

Clark, S J, Segall, M D, Pickard, C J et al. (4 more authors) (2005) First principles methods using CASTEP. Zeitschrift für Kristallographie. pp. 567-570. ISSN 0044-2968



Copyright, Publisher and Additional Information: Reproduced with permission from the publisher.
Keywords: CASTEP Computer program,density functional theory,pseudopotentials,ab initio study,plane-wave method,computational crystallography,INITIO MOLECULAR-DYNAMICS,TOTAL-ENERGY CALCULATIONS,PLANE-WAVE,PSEUDOPOTENTIALS,ALGORITHM
  • Published: 2005
Institution: The University of York
Academic Units: The University of York > Physics (York)
Depositing User: Sherpa Assistant
Date Deposited: 16 Apr 2009 15:09
Last Modified: 23 Apr 2017 00:23
Published Version:
Status: Published
Refereed: Yes


Filename: probertm12.pdf

Description: probertm12.pdf

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