Cluster description: atomic surface

The command

surface symbol x y z a type

adds to the cluster the coordinates of the atoms of a semi-infinite medium with a specified surface termination. The surface is perpendicular to the z axis. The keyword type refers to the type of surface, which can be one of the following (click on them to see further details on axes orientation, top views, etc.):

The keyword symbol can be any of the atomic-element symbols (H, He, ... up to Am). (Warning: this is case sensitive.) This refers to the type of atoms that are added by this command.

Finally, a is the lattice constant and (x,y,z) are the coordinates (both in Angstroms) of one of the top-most surface atoms.

The command adds atoms to the cluster from the specified z towards the negative z-axis direction.

Complex structures like diamond can be easily created by using this command various times in the cluster specification box (e.g., with atoms at (0,0,0) and (1/4,1/4,1/4) in the case of diamond).