This test is similar to 'si_fatbands', but with spin-orbit.

A. Fatbands

Get the data from Tests/ge_fatbands_so, i.e., copy the ge_fatbands_so.HSX
and the ge_fatbands_so.bands.WFSX files, and process them:

  ln -sf ge_fatbands_so.bands.WFSX ge_fatbands_so.WFSX
  /path/to/fat [options] fatbands

Then, a number of .EIGFAT files will be produced. These files contain
*both* the eigenvalues and the projection weight for each orbital set
in the .mpr file, and can be re-processed by the "eigfat2plot" program
in Util/Bands to produce a data file suitable for plotting by Gnuplot.

Alternatively, users might want to produce their own post-processors.


The process in more detail:

#
# Copy the .HSX and .bands.WFSX file from the working directory where
# you ran the 'ge_fatbands_so' test.
#
# Rename the ge_fatbands_so.bands.WFSX file to 'ge_fatbands_so.WFSX'.
#
# Execute the 'fat' program (compile it first in the COOP directory)

../../fat fatbands
#
# Now process the EIGFAT files:
#
../../../Bands/eigfat2plot fatbands.fatbands_Ge_4s.EIGFAT > 4s.dat
../../../Bands/eigfat2plot fatbands.fatbands_Ge_4p.EIGFAT > 4p.dat
../../../Bands/eigfat2plot fatbands.fatbands_Ge_4d.EIGFAT > 4d.dat
#
# Plot with gnuplot, with typical commands:
#

plot "4s.dat" using 1:2:(4*$3) with points pt 6 ps variable  
replot "4p.dat" using 1:2:(4*$3) with points pt 6 ps variable 

B. PDOS and COOP/COHP

You can use the pdos.mpr and coo.mpr files, and proceed as in other
examples, noting that it is the ge_fatbands_so.fullBZ.WFSX that should
be renamed or linked to ge_fatbands_so.WFSX before executing the
'mprop' program.

In all these spin-orbit enabled tests, pending a further review of
what constitutes useful functionality, the orbital weight assigned to
each band, and the PDOS or COOP/COHP weights, are computed on a
full-spinor basis. No filtering of up/down components, or re-weighting
on the basis of any other spin-related quantity is yet possible.

