Abstract. A brief introduction to the ABINIT software package is given. Available under a free software license, it allows to compute directly a large set of properties useful for solid state studies, including structural and elastic properties, prediction of phase (meta)stability or instability, specific heat and free energy, spectroscopic and vibrational properties. These are described, and corresponding applications are presented. The emphasis is also laid on its ease of use and extensive documentation, allowing newcomers to quickly step in.
We present a multiresolution technique for interactive texture based rendering of arbitrarily oriented cutting planes for very large data sets. This method uses an adaptive scheme that renders the data along a cutting plane at different resolutions: higher resolution near the point-of-interest and lower resolution away from the point-of-interest. The algorithm is based on the segmentation of texture space into an octree, where the leaves of the tree define the original data and the internal nodes define lower-resolution versions. Rendering is done adaptively by selecting high-resolution cells close to a center of attention and low-resolution cells away from it. We limit the artifacts introduced by this method by blending between different levels of resolution to produce a smooth image. This technique can be used to produce viewpointdependent renderings.
We present a method for the hierarchical representation of vector fields. Our approach is based on iterative refinement using clustering and principal component analysis. The input to our algorithm is a discrete set of points with associated vectors. The algorithm generates a top-down segmentation of the discrete field by splitting clusters of points. We measure the error of the various approximation levels by measuring the discrepancy between streamlines generated by the original discrete field and its approximations based on much smaller discrete data sets. Our method assumes no particular structure of the field, nor does it require any topological connectivity information. It is possible to generate multiresolution representations of vector fields using this approach.
We introduce a new subdivision-surface wavelet transform for arbitrary two-manifolds with boundary that is the first to use simple lifting-style filtering operations with bicubic precision. We also describe a conversion process for re-mapping large-scale isosurfaces to have subdivision connectivity and fair parameterizations so that the new wavelet transform can be used for compression and visualization. The main idea enabling our wavelet transform is the circular symmetrization of the filters in irregular neighborhoods, which replaces the traditional separation of filters into two 1-D passes. Our wavelet transform uses polygonal base meshes to represent surface topology, from which a Catmull-Clark-style subdivision hierarchy is generated. The details between these levels of resolution are quickly computed and compactly stored as wavelet coefficients. The isosurface conversion process begins with a contour triangulation computed using conventional techniques, which we subsequently simplify with a variant edge-collapse procedure, followed by an edge-removal process. This provides a coarse initial base mesh, which is subsequently refined, relaxed and attracted in phases to converge to the contour. The conversion is designed to produce smooth, untangled and minimally-skewed parameterizations, which improves the subsequent compression after applying the transform. We have demonstrated our conversion and transform for an isosurface obtained from a high-resolution turbulent-mixing hydrodynamics simulation, showing the potential for compression and level-of-detail visualization.
We present a method for the construction of multiple levels of tetrahedral meshes approximating a trivariate function at different levels of detail. Starting with an initial, high-resolution triangulation of a three-dimensional region, we construct coarser representation levels by collapsing tetrahedra. Each triangulation defines a linear spline function, where the function values associated with the vertices are the spline coefficients. Based on predicted errors, we collapse tetrahedron in the grid that do not cause the maximum error to exceed a use-specified threshold. Bounds are stored for individual tetrahedra and are updated as the mesh is simplified. We continue the simplification process until a certain error is reached. The result is a hierarchical data description suited for the efficient visualization of large data sets at varying levels of detail.
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