![]() ![]() ![]() Movies of vibrations, optimization, MD trajectories.ĪDF feature list Structure and reactivity:.(partial) DOS, band structures, many spectra.Quick visualization of MOs, densities, properties. ![]() Cross-platform compatible, remote queues.Ĭalculated X-ray absorption spectrum for Fe 2(CO) 9 (absorption peaks in red, ionization blue).Easy toggling between clusters and periodic systems.Įlectronic energy level diagram of ground state 14.Large database of structures, complex mixtures with Packmol.Relativistic TDDFT calculations on Au 24(SAdm) 16 and on icosahedral Ag 254 4+ monatomic nanoshell. The installation of the GUI and all computational engines is hassle-free from a single file. The integrated graphical interface (GUI) works with all codes on Mac, Windows and Linux, which makes it easy to set up and visualize different job types. ![]()
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