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Next: LAPW3 (X-ray structure factors) Up: SPAGHETTI (energy bandstructure plots) Previous: Dimensioning parameters

   
Input

An example is given below:

----------------- top of file: case.insp -------------------
-15.0 10.0 2 5.0 9 # EMIN, EMAX(in), UNITS (1:Ry, 2:eV), 
                      major,minor ticks
14.0 12.5          # Size of plot (x,y) in [cm]
3.0 3.0            # Origin offset [cm]
1.0                # character height
0.58241            # E-Fermi (set to 999. to ignore)
20 25              # band indices for ``character plotting``
0 9 0.4            # jatom, jtype, size factor
                      for ``character plotting``
------------------- bottom of file ------------------------

Interpretive comments on this file are as follows:

line 1:
free format
emin, emax, iunits, eincr, mtick
emin    energy minimum of plot, units in Ry or eV (with respect to Ef) depending on ``iunits``
emax    energy maximum of plot (see above)
iunits  1  energies in Ry (internal scale)
 2  energies in eV with respect to Ef
eincr    energy increment where y-axis labels are printed (major ticks)
mtick    number of minor ticks of y-axis
line 2:
free format
xsize,ysize
xsize    plotsize in x direction (cm)
ysize    plotsize in y direction (cm)
line 3:
free format
xoffset, yoffset
xoffset    x offset (in cm) of origin of plot
yoffset    y offset (in cm) of origin of plot
line 4:
free format
charh    scaling factor for size of labels
line 5:
free format
efermi    Fermi energy (Ry); look it up from the respective case.scf file. If set to 999., Ef is not plotted (and iunits=2 cannot be used!)
line 6:
free format
nband1, nband2    lower and upper band index for bands which should show ``band-character plotting`` (if case.qtl is present and the proper switch is set, see below). In addition the corresponding x and y coordinates are written to file case.spaghetti_ene (which can be used for plotting with an external xy-plotting program).
line 7:
free format
jatom, jcol, jsize
jatom If a case.qtl file is present, jatom indicates the atom whose character (selected by jcol) is used for ``band-character plotting`` (dots are replaced by circles with radii proportional to the corresponding weight). If set to zero or if case.qtl is not present, ``band-character plotting`` does not occur.
jcol specifies the column to be used in the respective QTL-file. 1 means total, 2 ...s, 3 ...p, ...The further assignment depends on the value of ISPLIT set in case.struct. (ignored for jatom=0)
jsize size factor for radii of circles used in ``band-character plotting''
if line 7 is repeated, averaging of QTLs for degenerate states is performed (useful in SO-calculations).
end:spaghetti

begin:lapw3


next up previous contents
Next: LAPW3 (X-ray structure factors) Up: SPAGHETTI (energy bandstructure plots) Previous: Dimensioning parameters

2000-04-11