Organisers

• Patrizia Monachesi (University of L'Aquila, Italy)
• Olle Eriksson (Uppsala University, Sweden)

Supports

   CECAM

ENEA

INFM

Description

<b>Event homepage : </b><a href='http://www.fisica.aquila.infn.it/homepages/monachesi/FPLMTO_09/' target='_blank' class='t12'><b>http://www.fisica.aquila.infn.it/homepages/monachesi/FPLMTO_09/</b></a>

RSPt (Relativistic Spin Polarised (test)) is an Open Source project and a code for ab-initio electronic structure calculations based on the Full-Potential Linear Muffin-Tin Orbital (FPLMTO) method. It is implemented to be very flexible and stable to calculate total energy and spectral properties of bulk/surface sp-bonded, as well as d- and f -electron solids with quite large, complex unit cells. Moreover, interface-ability with other simulation modules as well as implementations with highly performing theoretical tools, make the RSPt simulation package open to appealing, substantial upgrades. RSPt currently runs in a LDA/GGA mode, DMFT as well as with self-interacting corrections (SIC).
The workshop is meant to be a genuine forum of interacting experts-novices in order to increase efficiency and out-reach of the FPLMTO-RSPt apparatus. Its vocation as an expertise transfer- and training-place for developers and young researchers is assured by an uncommonly interactive, self-upgrading and opened level of communication among all participants.
Attendance to the workshop is expected by people already familiar with DFT-electronic calculations and related topics. The number of participants is limited to 50, selected upon criteria to be announced. A short CV, motivation letter and description of current activity will be required in order to better plan the program details and the tutorial sections.

<b>Subscriptions will be opened March 15-2009 and closed (deadline) May 15-2009 .</b>
No participation fee is requested and some support will be available (except for travel) according to agreement with the sponsors.
All detailed information and a forum will be available at (<a href='http://www.rspt.net/' target='_blank'>http://www.rspt.net/</a>) from March 15-2009.

Scientific Objectives

The workshop is focused on the following objectives : training of newcomers to electronic structure theory using LMTO basis functions and the RSPt implementation; discuss recent developments at theoretical (e.g. performant XC-functionals, corrections to LDA) as well as software level (e.g. parallelization, interfacing with other codes/modules, plan future implementations); communicating most recent scientific achievements and results obtained by the FP-LMTO-RSPt scheme.

References

1. J. Wills in Electronic Structure and Physical Properties of Solids ed. by H. Dreyssée
(Springer Verlag, Berlin 1999), 535, 148-167
2. R. Armiento and A. E. Mattsson, Phys. Rev. B72, 085108, (2005)
3. A. Mattsson et al JCP 128, 084714 (2008)
4. A. I. Lichtenstein et al Phys. Rev. Lett. 87, 067205 (2001)
5. A. Georges et al Rev. Mod. Phys. 68, 13 (1996)
6. G. Kotliar et al Rev. Mod. Phys. 78, 865 (2006)
7. Jian-Xin Zhu et al Phys. Rev. B 76, 245118 (2007)
8. A. Grechnev et al arXiv:cond-mat/0610621v1, (2006)
9. Till Burkert et al Phys. Rev. Lett. 93, 27203 (2004)
10. P. Monachesi et al Phys. Rev. B64, 115421( 2001)

<h2>Links</h2>

<a class='t12' target='_blank' href='http://www2.ufpa.br/ppgf/w-fp-lmto/2007.htm'>2007 Workshop@Belem</a>

<a class='t12' target='_blank' href='http://www.rspt.net/filemgmt/index.php?id=36'>J.Wills&O.Eriksson "LA Science 26 2000"</a>

<a class='t12' target='_blank' href='http://www.rspt.net/forum/viewtopic.php?showtopic=173&fromblock=yes'>Ann Mattson "Fundaments of the RSPt code Presentation at 2008 Workshop@Sandia"</a>

<a class='t12' target='_blank' href='http://www.rspt.net/filemgmt/index.php?id=26'>Igor Di Marco "Presentation at 2007 Workshop@Belem"</a>

<a class='t12' target='_blank' href='http://www.rspt.net/filemgmt/index.php'>Andrew Pineda “MPIRSPT Presentation at 2008 Workshop@Sandia" </a>

<a class='t12' target='_blank' href'http://www.rspt.net/filemgmt/index.php?id=9'>Torbjörn Björkman "Presentation at 2007 Workshop@Belem"</a>

<a class='t12' target='_blank' href='http://www.fisica.uniroma2.it/~cmtheo-group/Research/research.html'>Condensed matter theory group</a>

<a class='t12' target='_blank' href='http://www.fisica.uniroma2.it/~cmtheo-group/Publications/publications.html'>Patrizia Monachesi "reflectance anisotropy and metallic surfaces"</a>