4.5. FREQUENTLY ASKED QUESTIONS

next, previous Section / Table of Contents / Index This section describes strategies and solutions to common problems in using BALSAC which have been pointed out by users or are not dealt with in the tutorial, Sec. 3, or in Sec. 7. The description will be brief and recipe like. Sequences of option key and numerical/text input are entered from the keyboard where [x] means "press key x on the keyboard" and "numbers/text" means "type the numbers or text inside the double quotes, " ", followed by the enter key". Both lower and upper case input of option keys is accepted but can lead to different results. All input sequences start from either the DOS/Unix command line or from one of the two main option menus of BALSAC returning to the respective main option menus where "Comlin" means "start from the DOS/Unix command line", "Lat" means "start from the main option menu of a LATTICE session", "Clu" means "start from the main option menu of a CLUSTER session", "LatClu" means "start from the LATTICE or CLUSTER main option menu". If mouse input for selecting menu options has been chosen the key sequences have to replaced by pointing at option characters and L-clicking (clicking the left button of the mouse, DOS) or by respective selections from the menu window (Unix). * How do I start BALSAC for an interactive session? > Comlin: "balsac -l" to build a periodic lattice. > Comlin: "balsac -c" to build a molecule or cluster. * How do I start BALSAC with an external input file? > Comlin: "balsac -l fname" (LATUSE format file 'fname' for input). > Comlin: "balsac -lr" (file 'balsac.lat' for input). > Comlin: "balsac -c fname" (PLOT3D format file 'fname' for input). > Comlin: "balsac -cr" (file 'balsac.plt' for input). * How do I start BALSAC resuming the previous session? > Comlin: "balsac -lp". (file 'balsac.svl' for input). > Comlin: "balsac -cp". (file 'balsac.svc' for input). * How do I start with a new file inside BALSAC? > Lat: [I], "fname" ("+" as a name uses 'balsac.lat'). > Clu: [I], "fname" ("+" as a name uses 'balsac.plt'). * How do I transfer a complete lattice section from a LATTICE to a CLUSTER session after the message "WARNING: structure incomplete,..." received in a first attempt? > Lat: [G], [M], [A], [X], [T], [T]. * How do I get out of menus? > LatClu: [,] or R-click as many times as needed. * How do I get out of a prompt for a file name? > LatClu: "-". * How do I get out of BALSAC? > LatClu: [,] or R-click as many times as needed. * How do I turn on mouse menu mode? > LatClu: [@] from any menu. * How do I turn off mouse menu mode? > LatClu: L-click "Menu off" button inside any menu window (Unix). > LatClu: [@] from any menu (DOS). * How do I turn on teach mode? > LatClu: [P], [T], "+", [,]. * How do I turn off teach mode? > LatClu: [%] or [P], [P], [T], [T], [,]. * How do I save a structure on file? > Lat: [O], [Q] saves on file 'balsac.lat' (quick save). > Lat: [O], [F], "fname", [L] saves on file 'fname' (LATUSE format). > Clu: [O], [Q] saves on 'balsac.plt' (quicksave). > Clu: [O], [F], "fname", [P] saves on file 'fname' (PLOT3D format). * How do I include all color definitions in a LATUSE or PLOT3D format output file? > Lat: [O], [I] until "[I]nit(on )" shows in the menu. * How do I generate (color) PostScript print output? > 1) Save structure in a PostScript file 'fname' LatClu: [O], [F], "fname", [G] ([C]). 2) Print file 'fname' on a PostScript printer. * How do I make changes in the PostScript plot file? > See Sec. 6.4.6.1 for a tutorial. * How do I cope with multiple number input in BALSAC, e.g. equal radii for many atoms? > Use multiplication factors, for example "5.4,1.,1.,1.,1.,0.3" can be input as "5.4,4*1.,.3" * How do I rescale all atomic radii (touching sphere geometry)? > LatClu: [R], [R], [,], [,]. * How do I get reasonable perspective (point projection) for my plot? > LatClu: [V], [Q], "3,1", [,]. * How do I set the option to include or remove the structure title in graphics? > LatClu: [G], [L], [T], [,], [,]. * How do I set the option to include or remove a wire frame in graphics? > LatClu: [G], [L], [F], [,], [,]. * How do I define bonds inside the graphics option menu? > LatClu: [G], [C], [A] adds a bond constraint, ... [C] sets colors for all constraints, ... [R] sets bond stick radii for all constraints. > LatClu: [X], [Q], [L], L-click 2 atoms, R-click (bond constraint). [K], L-click 2 atoms, R-click,(bond color). * How do I measure distances between atoms on the graphics screen? > LatClu: [X], [Q], [D], L-click 2 atoms, R-click. * How do I measure bond angles on the graphics screen? > LatClu: [X], [Q], [V], L-click 3 atoms (A,B,C), R-click yields angle <(B-A-C). * How do I show lines used in the interactive graphic analysis (for distances, angles, ...)? > LatClu: [X], [Q], [Z], confirmed by "." showing at the end of the analysis menu line. * How do I get rid of additional lines in graphics output? > LatClu: [X], [Q], [J] deletes line generated last. * How do I refresh a plot which is too busy or after graphics changes? > LatClu: [+] in graphic analysis or main graphics menu. * How do I get a table of all defined colors with their numbers? > LatClu: [G], [T], [,], [,] * How do I get back from a graphical analysis option to the graphical analysis menu? > LatClu: [M] or R-click inside the graphics window/screen until menu shows at the bottom of the window/screen. * How do I find translationally equivalent basis atoms in a lattice section? > Lat: [L], [U], [B], [L] lists all basis atoms and shows coincidences. * How do I remove translationally equivalent basis atoms in a lattice section? > Lat: [L], [U], [B] ; then [L] lists basis atom indices, [D] removes basis atoms. * How do I find coinciding atoms in a cluster? > Clu: [A], [F], [A] lists all atoms and shows coincidences. * How do I remove coinciding atoms from a cluster? > Clu: [S], [S], [R] shows coinciding atom pairs and allows you to remove. next, previous Section / Table of Contents / Index