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9 Symmetry and Molecular Images

The Images commands allows symmetric images of the primary molecule(s) to participate in the energy and structure of a system.

The syntax of image input and output commands is given in I/O.

By reading an image file (.IMG), the images of the primary atoms are included in any energy and force determinations for the remainder of the calculation (unless another image file is read). The main use for this facility is to simulate crystal environments or to obtain periodic boundary conditions. It is also acceptable to use this facility in finite systems such as dimers and tetramers.