ADF modeling suite - Functionality - The fully integrated GUI
Manage ADF, BAND, DFTB, MOPAC2012, ReaxFF, and COSMO-RS jobs and files, run locally and remotely
Tools - prepare and analyze multiple jobs in a customizable report
Input - draw or import molecules, select options, run calculations with seamless switching between programs
Packmol builder for setup of complex systems of differing molecules
View - visualize 3D data fields for orbitals, densities, potentials, and many more
Spectra - visualize a wealth of spectra: NMR, IR, Raman, CD, MCD, VCD, UV/VIS, VDOS, etc.
Levels - draw MO interaction diagrams, click-through to visualize orbitals
Dos - show (partial) DOS, for molecules (ADF, DFTB) and periodic structures (BAND, DFTB)
Movie - show steps in geometry optimizations, vibrations, and molecular dynamics
Tail - show a summary of the progress of an ADF calculation
Output - find detailed information in the ASCII output file
Band Structure - show electronic band structures and phonon dispersion curves
To find more information about ADF Modeling Suite please visit SCM web page.