Integration of electron and nuclear densities by Voronoi tessellation.Significant performance improvements in rendering of isosurfaces and calculation of slices.Output information about principal axes and mean square displacements for anisotropicthermal motion.Determination of the best plane for selected atoms.Customization of styles per sites or bond types.Improvements in inputting files with various formats.Support of undo and redo in GUI operations.American Mineralogist Crystal Structure Database (*.amc).CIF (Crystallographic Information File).CSSR (Crystal Structure Search and Retrieval).GEOMETRY.OUT output by the Elk FP-LAPW Code.GAMESS input and 3D surface data files output by MacMolPltĤ.WIEN2k (*.rho) obtained with wien2venus.py.SCAT volumetric-data files (*.sca, *.scat).Compressed volumetric-data format (*.m3d).Periodic volumetric-data (binary format) (*.pgrid).General volumetric-data (binary format) (*.ggrid).Periodic volumetric-data (text format) (*.grd).General volumetric-data (text format) (*.?ed).MXDORTO/MXDTRICL FILE06.DAT, (Crystallographic Database for Minerals).ICSD (Inorganic Crystal Structure Database). Circumstances behind the development of VESTAVESTA is originated from two GLUT- and GLUI-based applications, VICS and VEND, developed by Dr. They saw the light of day at the end of 2002 and, since then, continued their growth to be used widely in a variety of studies.
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However, we never get full satisfaction from their usability and performance. First, the combined use of VICS and VEND to visualize both crystal and electronic structures via text files is rather troublesome on-the-fly visualization of these two kinds of images is highly desired. Second, their graphical user interface (GUI) is not very user-friendly because they are based on the old-fashioned toolkits, GLUT and GLUI, which have been no longer upgraded. #Single crystal crystal maker software#.
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