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SIESTA - Revision history
2026-04-26T07:10:46Z
Revision history for this page on the wiki
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131.211.187.123 at 10:40, 26 March 2014
2014-03-26T10:40:21Z
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131.211.187.123
http://www.sklogwiki.org/SklogWiki/index.php?title=SIESTA&diff=11455&oldid=prev
Carl McBride: Added reference and related reading
2011-05-30T12:24:43Z
<p>Added reference and related reading</p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 14:24, 30 May 2011</td>
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<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">[http://www.uam.es/departamentos/ciencias/fismateriac/siesta/ </del>SIESTA<del style="font-weight: bold; text-decoration: none;">] </del>('''S'''panish '''I'''nitiative for '''E'''lectronic '''S'''imulations with '''T'''housands of '''A'''toms) is both a method and its computer program implementation, to perform electronic structure calculations and [[ab initio molecular dynamics]] simulations of molecules and solids.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">'''</ins>SIESTA<ins style="font-weight: bold; text-decoration: none;">''' </ins>('''S'''panish '''I'''nitiative for '''E'''lectronic '''S'''imulations with '''T'''housands of '''A'''toms) <ins style="font-weight: bold; text-decoration: none;"><ref>[http://dx.doi.org/10.1088/0953-8984/14/11/302 José M Soler, Emilio Artacho, Julian D Gale, Alberto García, Javier Junquera, Pablo Ordejón and Daniel Sánchez-Portal "The SIESTA method for ab initio order-N materials simulation", Journal of Physics: Condensed Matter '''14''' pp. 2745-2779 (2002)]</ref> </ins>is both a method and its computer program implementation, to perform electronic structure calculations and [[ab initio molecular dynamics]] simulations of molecules and solids.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>==References==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>==References==</div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"><references/></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">;Related reading</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://dx.doi.org/10.1103/PhysRevB.48.14646 Pablo Ordejón, David A. Drabold, Matthew P. Grumbach and Richard M. Martin "Unconstrained minimization approach for electronic computations that scales linearly with system size", Physical Review B '''48''' pp. 14646-14649 (1993)] </ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://dx.doi.org/10.1103/PhysRevB.51.1456 Pablo Ordejón, David A. Drabold, Richard M. Martin and Matthew P. Grumbach "Linear system-size scaling methods for electronic-structure calculations", Physics Review B '''51''' pp. 1456-1476 (1995)] </ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://dx.doi.org/10.1103/PhysRevB.53.R10441 Pablo Ordejón, Emilio Artacho and José M. Soler "Self-consistent order-N density-functional calculations for very large systems", Physical Review B '''53''' pp. R10441–R10444 (1996)]</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://www3.interscience.wiley.com/cgi-bin/abstract/42834/START Daniel Sánchez-Portal, Pablo Ordejón, Emilio Artacho, and José M. Soler "Density-functional method for very large systems with LCAO basis sets", International Journal of Quantum Chemistry '''65''' pp. 453-461 (1997)]</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://www3.interscience.wiley.com/cgi-bin/abstract/63501363/START E. Artacho, D. Sánchez-Portal, P. Ordejón, A. García, J. M. Soler "Linear-Scaling ab-initio Calculations for Large and Complex Systems", physica status solidi (b) '''215''' pp. 809-817 (1999)]</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://dx.doi.org/10.1103/PhysRevB.64.235111 Javier Junquera, Óscar Paz, Daniel Sánchez-Portal, and Emilio Artacho "Numerical atomic orbitals for linear-scaling calculations", Physical Review B '''64''' 235111 (2001)]</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://dx.doi.org/10.1103/PhysRevB.66.205101 Eduardo Anglada, José M. Soler, Javier Junquera, and Emilio Artacho "Systematic generation of finite-range atomic basis sets for linear-scaling calculations", Physical Review B '''66''' 205101 (2002)]</ins></div></td></tr>
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<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">==External links==</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://www.uam.es/departamentos/ciencias/fismateriac/siesta/ SIESTA home page]</ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category: Materials modelling and computer simulation codes]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category: Materials modelling and computer simulation codes]]</div></td></tr>
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Carl McBride
http://www.sklogwiki.org/SklogWiki/index.php?title=SIESTA&diff=4750&oldid=prev
Nice and Tidy at 17:52, 30 October 2007
2007-10-30T17:52:58Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 19:52, 30 October 2007</td>
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Nice and Tidy
http://www.sklogwiki.org/SklogWiki/index.php?title=SIESTA&diff=4731&oldid=prev
Carl McBride: New page: [http://www.uam.es/departamentos/ciencias/fismateriac/siesta/ SIESTA] ('''S'''panish '''I'''nitiative for '''E'''lectronic '''S'''imulations with '''T'''housands of '''A'''toms) is both a ...
2007-10-30T17:42:55Z
<p>New page: [http://www.uam.es/departamentos/ciencias/fismateriac/siesta/ SIESTA] ('''S'''panish '''I'''nitiative for '''E'''lectronic '''S'''imulations with '''T'''housands of '''A'''toms) is both a ...</p>
<p><b>New page</b></p><div>[http://www.uam.es/departamentos/ciencias/fismateriac/siesta/ SIESTA] ('''S'''panish '''I'''nitiative for '''E'''lectronic '''S'''imulations with '''T'''housands of '''A'''toms) is both a method and its computer program implementation, to perform electronic structure calculations and [[ab initio molecular dynamics]] simulations of molecules and solids.<br />
==References==<br />
[[Category: Materials modelling and Computer simulation codes]]</div>
Carl McBride