Organisers

• Mike Gillan (Department of Physics and Astronomy, University College London, United Kingdom)
• David R. Bowler (University College London, United Kingdom)
• Tsuyoshi Miyazaki (National Institute for Materials Science (NIMS), Japan)

Supports

   CECAM

   Psi-k

Description

Linear 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

<ul>
<li>To give an overview of principles behind O(N) calculations</li>
<li>To describe the use of the Conquest code</li>
<li>To teach participants to use the code in interactive sessions</li>
</ul>

References

[1] D. R. Bowler and R. Choudhury and M. J. Gillan and T. Miyazaki <I>Recent progress with large-scale ab initio calculations: the uppercaseCONQUEST code</I>, phys. stat. sol. b <B>243</B> 989-1000 (2006) <BR><BR> [2] T. Miyazaki and D. R. Bowler and R. Choudhury andM. J. Gillan <I>Atomic force algorithms in density functional theoryelectronic-structure techniques based on localorbitals</I>, Journal of Chemical Physics <B>121</B> 6186-6194 (2004) <BR><BR> [3] D. R. Bowler and T. Miyazaki and M. J. Gillan <I>Recent progress in linear scaling textitab initioelectronic structure techniques</I>, Journal of Physics: Condensed Matter <B>14</B> 2781-2798 (2002) <BR>