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ADF: Amsterdam Density Functional software - Functionality - The BAND GUI

The ADF2008 release of the graphical user interface for BAND (BAND-GUI) now includes a visualization module for DOS and and supports transition state searches and numerical frequencies. Further improvement of the current BAND-GUI modules and development of additional modules is a high priority for SCM. A step-by-step tutorial ensures that anyone can visualize results of a basis BAND calculation within an hour after installation.

The BAND-GUI currently contains the following modules:

BANDinput - draw or import the atoms in the unit cell, choose the desired options from menu's, and start up your BAND calculation .

ADFview - visualize 3D data fields for orbitals and deformation density. Rotate pictures interactively, add cut planes, combine fields, export pictures in standard file formats.

BANDstructure - shows plot of the electronic band structure.

BANDdos - display partial density-of-states.

ADFjobs - manage BAND calculations: run jobs locally and remotely, keep track of running jobs. Convenient launcher of other modules.

ADFtail - shows a summary of the progress of an BAND calculation.

ADFoutput - basic output browser.

To find more information about BAND-GUI please visit SCM web page.