2015 年 44 巻 1 号 p. 52-56
Three-dimensional visualization system VESTA and maximum-entropy method (MEM) analyses program Dysnomia have been developed for mineralogical and crystallographic studies. VESTA seamlessly visualizes multiple numbers of crystal, volumetric and morphology data in a same graphic window. It can calculate and output a variety of crystallographic information. Dysnomia is much faster than its predecessor PRIMA, and has several new features including a brand-new L-BFGS algorithm and a new type of constraints. Dysnomia is virtually integrated with a pattern fitting system RIETAN-FP for the MEM-based pattern fitting. These programs have been widely used in thousands of researches not limited to mineralogy but also in a variety of areas including chemistry, materials science, bioscience, electronic state calculations and so on.
