-------------------------------------------------------------------------------- Fedora Update Notification FEDORA-2009-5115 2009-05-19 00:07:11 --------------------------------------------------------------------------------
Name : wannier90 Product : Fedora 10 Version : 1.1 Release : 4.fc10 URL : http://wannier.org/ Summary : Maximally-localised Wannier functions Description : Wannier90 is a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands. The formalism works by minimising the total spread of the MLWF in real space. This is done in the space of unitary matrices that describe rotations of the Bloch bands at each k-point. As a result, wannier90 is independent of the basis set used in the underlying calculation to obtain the Bloch states. Therefore, it may be interfaced straightforwardly to any electronic structure code. The locality of MLWF can be exploited to compute band-structure, density of states and Fermi surfaces at modest computational cost. Furthermore, wannier90 is able to output MLWF for visualisation and other post-processing purposes. Wannier functions are already used in a wide variety of applications. These include analysis of chemical bonding in real space; calculation of dielectric properties via the modern theory of polarisation; and as an accurate and minimal basis set in the construction of model Hamiltonians for large-scale systems, in linear-scaling quantum Monte Carlo calculations, and for efficient computation of material properties, such as the anomalous Hall coefficient. -------------------------------------------------------------------------------- Update Information: First release. -------------------------------------------------------------------------------- References: [ 1 ] Bug #496880 - Review Request: wannier90 - Maximally-localised Wannier functions https://bugzilla.redhat.com/show_bug.cgi?id=496880 -------------------------------------------------------------------------------- This update can be installed with the "yum" update program. Use su -c 'yum update wannier90' at the command line. For more information, refer to "Managing Software with yum", available at http://docs.fedoraproject.org/yum/. All packages are signed with the Fedora Project GPG key. More details on the GPG keys used by the Fedora Project can be found at http://fedoraproject.org/keys -------------------------------------------------------------------------------- _______________________________________________ Fedora-package-announce mailing list Fedora-package-announce@redhat.com http://www.redhat.com/mailman/listinfo/fedora-package-announce