[xcrysden] Error when rendering the fermi surface

[Martin Kroeker]

Depending on the size of the system you are studying, you may have to
increase some array limits in the wn_readbakgen program (that appears to
be the program that is crashing, if I followed this thread correctly).
If you check the source distribution, in xcrysden-1.5.60/F/wn_readbakgen.f
you will find the following at the top of the file:
     PARAMETER (
     $     MAX_NKPT    = 500000,
     $     MAX_IRNKPT  = 7000,
     $     MAX_NBANDS  = 700,
     $     MINE        = 1,
     $     MAXE        = 2)

which are later used to define array sizes. Possibly the number of bands
in your case exceeds 700, or there are more than 7000 kpoints in the
irreducible wedge ? Increase the relevant numbers and run "make" in
this subdirectory (after copying the appropriate Make.sys.* to Make.sys
in the toplevel directory as decribed in the README file there). 
Then copy the new wn_readbakgen over the original one and retry.


-- 
Dr. Martin Kroeker            martin at ruby.chemie.uni-freiburg.de
c/o Prof.Dr. Caroline Roehr
Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg