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Category FINDES

Information about the search for interstitial spheres. The program first checks if the atomic muffin-tin radii found by can be scaled to fill space without violating the overlap rules in category SCALE. If this is the case then the program stops. If it is not the case the program searches for interstitial spheres (ES). For each ES found with radius larger than the token RMINES (see this) the space filling is checked (scaling to space filling and checking overlaps). If space filling is reached the program stops, otherwise more ES are searched for. The program will eventually stop either because space filling has been reached or no more ES can be found with radii larger than RMINES. In the latter case RMINES has to reduced.

O. Jepsen
Thu Oct 12 14:48:45 MESZ 2000