Organisers - Mike Gillan (University College London)
- David R. Bowler (University College London)
- Tsuyoshi Miyazaki (National Institute for Materials Science (NIMS))
Supports CECAM
 Psi-k
DescriptionLinear scaling electronic structure techniques are becoming mature, as shown by recent CECAM/PsiK workshops (and a proposed workshop in
2007). The textsc{Conquest} code is ready for release, and a tutorial in the use and application of the code would both broaden the user base and enable widespread use of the code. This tutorial will be aimed at researchers who are familiar with standard electronic structure codes.
Scientific Objectives
- To give an overview of principles behind O(N) calculations
- To describe the use of the Conquest code
- To teach participants to use the code in interactive sessions
References[1]
D. R. Bowler and R. Choudhury and M. J. Gillan and T. Miyazaki Recent progress with large-scale ab initio calculations: the uppercaseCONQUEST code,
phys. stat. sol. b 243 989-1000 (2006)
[2]
T. Miyazaki and D. R. Bowler and R. Choudhury andM. J. Gillan Atomic force algorithms in density functional theoryelectronic-structure techniques based on localorbitals,
Journal of Chemical Physics 121 6186-6194 (2004)
[3]
D. R. Bowler and T. Miyazaki and M. J. Gillan Recent progress in linear scaling textitab initioelectronic structure techniques,
Journal of Physics: Condensed Matter 14 2781-2798 (2002)
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