Starting ADFview

If you have installed the ADF package correctly, the adfview command is located in $ADFBIN.

If $ADFBIN is included in your PATH environment variable, you can start the ADFview program with the following command:

adfview [filename]

The filename is optional. ADFview only handles files of with extension .t21, .t41, .runkf, .cub(e)

If a file name is given, ADFview will read the file and produce an image of your molecule just as ADFinput (or BANDinput) does. However, since neither old .t21 (before ADF2006), .t41, .runkf nor .cub(e) contains bond information, ADFview will in those cases just make a guess at the bonds to show. If you use a .t21 file that has been created using the ADF-GUI 2006 and matching ADF, the bond information will be read from a .t21 file. These bonds are the bonds as defined by the user using ADFinput.

A .t21 file is a result file produced by ADF that contains most results of the ADF calculation. The data is not yet in field format. ADFview knows what kind of fields can be generated from the data present in a .t21, and will offer those fields. When you select such a field, ADFview will calculate the field data (the function values on a 3D grid) on the fly (using the DENSF program).

A .t41 file is a file produced by DENSF that contains field information: values of some function on a 3D grid. A single .t41 file may contain many fields, and ADFview will make all fields available that are present in the .t41 file.

A .runkf file is a result file produced by BAND that contains most results of the BAND calculation. The data is not yet in field format. ADFview knows what kind of fields can be generated from the data present in a .runkf, and will offer those fields. When you select such a field, ADFview will calculate the field data (the function values on a 3D grid) on the fly (using the BAND program again).

A .cub or .cube file is a file produced by several programs, using the Gaussian cube format. ADFview can read such files to make it easier for you to compare results from ADF or BAND with results from other packages.

An alternative method to start ADFview: select the View command from the SCM menu. It will start using the .t21 file belonging to the calculation you were handling. In case of a BAND calculation it will start using the .runkf file belonging to the calculation you were handling.