2.3. PROGRAM USE IN BRIEF

next, previous Section / Table of Contents / Index BALSAC is started from the DOS or Unix command line by balsac [-options] [structfile] [initfile] [helpfile] where all parameters in square brackets [...] are optional as explained in detail in Sec. 6.1. If no structure input file and session option is given BALSAC starts with the initial startup screen from which a BALSAC/LATTICE or BALSAC/CLUSTER session can be started in interactive mode or using a structure input file. For graphical output a graphics interface (X.11 Windows and a color graphics adapter) must be installed. In interactive mode of BALSAC/LATTICE, the user has to provide structural parameters and select graphics options in the order (see Sec. 6.2.) a) lattice type, lattice constant, b) Miller indices defining the lattice plane stacking, c) size of the lattice section and terminal plane, d) optional restructuring of lattice planes, e) viewing direction, perspectives etc. used for graphics output f) type of graphics, colors etc. used for graphics output. After input a) - f) the LATTICE main option menu shows giving shorthand information on all important parameters. Most of the structural parameters and those concerning graphics output can be viewed and modified from the main option menu. In addition, plotting of lattice sections with different graphics modes, analysis of lattice sections, and numerical output is initiated from the main option menu (and from many other menus), see Sec. 6.2. All parameters of the lattice section can be saved on external files or in an external file stack. The resulting structure files may serve as input for subsequent runs of BALSAC or for other programs. Graphics prints may be produced using color and gray scale PostScript file output sent to a PostScript laser printer. In interactive mode of BALSAC/CLUSTER the user has to provide structural parameters and select graphics options in the order (see Sec. 6.3.) a) atom coordinates, atomic radii, nuclear charges, b) viewing direction, perspectives etc. for graphics output c) type of graphics, colors etc. After input a) - c) the CLUSTER main option menu shows describing the structure. Most of the structural parameters and those concerning graphics can be viewed and modified from this main option menu. In addition, plotting of atom clusters with different graphical modes, analysis of substructures, and numerical output is initiated from the main option menu (and from many other menus). All parameters of the atom cluster can be saved on external files or in an external file stack. The resulting structure input files can serve as input for subsequent runs of BALSAC or for other programs. Graphics prints may be produced using color and gray scale PostScript file output sent to a PostScript laser printer. If BALSAC/LATTICE is entered with a structure input file all data are read from the file (see Secs. 6.4.1/2.) and, depending on the option flags of the structure input file, BALSAC moves directly to the LATTICE main option menu allowing to visualize/analyze/modify the preloaded lattice section interactively or BALSAC executes the sequence of options defined by the option flags. If BALSAC/CLUSTER is entered with a structure input file all data are read from the file (see Secs. 6.4.1/3.) and BALSAC moves directly to the CLUSTER main option menu allowing to visualize/analyze/modify the preloaded cluster structure interactively. Note that all BALSAC Version 1.0, 2.0 output files can be used without changes for input to BALSAC Version 2.16. Lattice sections which have been created in a BALSAC/LATTICE session interactively or using a structure input file may be transferred to a BALSAC/CLUSTER session for further processing. Further, structure transfer from BALSAC/CLUSTER to BALSAC/LATTICE is possible where the atom cluster is used for an elementary cell of a (fictitious) simple cubic lattice. next, previous Section / Table of Contents / Index