Object-oriented construction of a multigrid electronic-structure code with Fortran 90
We describe the object-oriented implementation of a higher-order finite-difference density-functional code in Fortran 90. Object-oriented models of grid and related objects are constructed and employed for the implementation of an efficient one-way multigrid method we have recently proposed for the density-functional electronic-structure calculations. Detailed analysis of performance and strategy of the one-way multigrid scheme will be presented. (C) 2000 Elsevier Science B.V. All rights reserved.
- Publisher
- ELSEVIER SCIENCE BV
- Issue Date
- 2000-09
- Language
- English
- Article Type
- Article
- Citation
COMPUTER PHYSICS COMMUNICATIONS, v.131, no.1-2, pp.10 - 25
- ISSN
- 0010-4655
- Appears in Collection
- EEW-Journal Papers(저널논문)
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