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Thursday, 01 October 2009 |
We are happy to announce the release of Siesta 3.0-beta.
In addition to many smaller changes and additions (see the release
notes below), there are some more significant ones, as the inclusion of
TranSiesta functionality for ballistic electronic transport
calculations, as well as new density functionals, new analysis tools
and quite a general optimizer for basis sets or pseudos.
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Read more...
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Optimized Basis Sets for Metallic Surfaces |
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Thursday, 21 May 2009 |
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A recent work by S. Garcia-Gil, N. Lorente, A. Garcia and P. Ordejon, published in Phys. Rev. B 79, 075441 (2009), describes the need of using enhanced basis sets to describe the physical properties of noble metal surfaces, and gives practical tips on how to generate efficient but accurate bases for these systems. |
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Tuesday, 23 December 2008 |
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Siesta 2.0.2 release is now available in the Download section.
This is the second bug-fix package after the release of Siesta-2.0
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Read more...
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