An application for the Rietveld analysis used in X-ray and neutron diffraction experiments. This application determines lattice constants and atomic coordinates from X-ray and neutron diffraction data on powder samples. It supports Windows and Linux. For Windows version, graphical user interface (GUI) named WinPLOTR can be used.
A fast molecular dynamics simulator for ferroelectrics. This simulator can execute molecular dynamics calculations quickly by dealing with dipole interaction efficiently. It can simulate the physical property of microscopic ferroelectric thin film of tens of nanometers, which is important in FeRAM(Ferroelectric Random Access Memory), controlling the shapes and effects of inactivated layers.
An application for first-principles calculation based on all-electron calculation using atomic bases. This application can perform accurate electronic-state calculation for various physical systems. It supports a number of functional sets including hybrid functionals, and can support relativistic effects, many-body perturbation methods, and the GW method. It can treat over 100 elements, and keeps high efficiency in parallel calculation from a desktop machine to a high-performance parallel computer up to 10,000 CPUs.
Payware for visualization mainly of fluid dynamics simulation. This application can treat large-scale and non-steady data, and supports various solvers and mesh types. It implements all the functions needed for evaluation of scalar and vector fields, and also implements auto evaluation and customization by using scripts as well as sophisticated visualization such as synchronized animation between several data.
A GUI program for structure modeling of giant molecules. This application consists of two programs, “fumodel” and “fuplot”. The former supports preparation of input data for FMO in GAMESS, whereas the latter is software for making graphs from numerical results obtained by FMO.
An application for visualization of Fermi surfaces.
This application displays Fermi surfaces colored as a function of an arbitrary scalar quantities such as magnitude of Fermi velocities and superconducting gap. It only requires a minimum set of data to draw Fermi surfaces. FermiSurfer provides a simple graphical user interface; the user can smoothly turn on/off the stereogram, nodal-lines, etc.