| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 522634 | Journal of Computational Physics | 2007 | 15 Pages |
Abstract
We present a quadratic finite element approach to discretize the Kohn–Sham equations on structured non-uniform meshes. A multigrid FAC preconditioner is proposed to iteratively solve the equations by an accelerated steepest descent scheme. The method was implemented using SAMRAI, a parallel software infrastructure for general AMR applications. Examples of applications to small nanoclusters calculations are presented.
Related Topics
Physical Sciences and Engineering
Computer Science
Computer Science Applications
Authors
J.-L. Fattebert, R.D. Hornung, A.M. Wissink,