Define the atomic geometry of two-probe systems. Or edit predefined bulk crystals and nanotubes. See how the 3D geometry changes as you change the parameters. Use the rotation and translation tools to quickly construct large...Read more >
Choose among more than 500 predefined crystals of all 14 Bravais lattices. If that is not enough, consider them as templates to be edited in the Atomic Manipulator. Preview the crystal structure and check the crystal information...Read more >
Create your own favorite calculation methods and reuse them in simulation after simulation. Specify parameters such as basis set, number of k-points, exchange-correlation potential, etc...Read more >
Build complex molecules with a few mouse clicks. Take predefined samples from the Molecule Cupboard as building blocks; edit, combine and extend them to new molecules. Change chemical elements, hybridization type, angles, and...Read more >
Generate complete NanoLanguage scripts with a few mouse clicks. Set up a calculation method, adjust the numerical parameters, and select the physical quantities to be calculated...Read more >
Explore nanostructures in 3D. Visualize atomic configurations, wave functions, electron densities, and other calculated physical quantities. Move and rotate your system to view it from different angles. Plot the same quantity...Read more >
Build perfect single-wall carbon nanotubes simply by specifying the two tube indices and the bond length. To make a silicon nanotube, change the chemical elements in the Atomic Manipulator...Read more >