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The Graphical User Interface for BAND (BAND-GUI)
The ADF2007 release of the graphical user interface for BAND (BAND-GUI)
now includes a crystal and surface builder and supports geometry optimization.
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
(click on an image to get a bigger picture):
| BANDinput |
| Draw or import the atoms in the unit cell, choose the desired options from menu's, and start up your BAND calculation |
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| ADFjobs |
| Manage BAND calculations: run jobs locally and remotely, keep track of running jobs.
Convenient launcher of other modules. |
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| ADFview |
| Visualize 3d data fields for orbitals and deformation density.
Rotate pictures interactively, add cut planes, combine fields, export pictures in standard file formats. |
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| BANDstructure |
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Shows plot of the electronic band structure.
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ADFtail
Shows a summary of the progress of a BAND calculation.
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BOB
Enables you to quickly find the detail information of interest in the full ASCII output file.
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Links
BAND-GUI: tutorial,
reference manual
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