[Wien] Difference Charge density in Spin-polarized calculation.

[John Appleton]

Dear WIEn Users,
  I want to calculate the difference charge density in a spin 
  polarized calculation. I understand that 
  bonding information can be obtained from the 
  difference charge density. 
  My idea is to sum spin-up and spin-dn densities and 
  substract the super-imposed free densities (from case.sigma). 
   
  My case.in5 is the following:
   
  -1 -1 0 2                     # x, y, z, divisor    of origin
-1 3 0 2                     # x, y, z, divisor    of x-end
3 -1 0 2                     # x, y, z, divisor    of y-end
4 4 4                       # number of shells
100 100        # number of points in x and y dir, (ratio close to lenght ratio
DIFF ADD                         #   RHO|DIFF|OVER; ADD|SUB or blank <---------
ATU VAL NODEBUG             #   ANG|ATU; VAL|TOT; DEBUG|NODEBUG
NONORTHO                       # optional: ORHO|NONORTHO plotting directions
   
  I am particularly concerned with line 6 marked with the 
  arrow (that is the option: DIFF ADD). Is it correct? 
  If not, what is the best way to plot the difference density 
  in a spin-polarized calculation? By the way, what is the 
  difference between case.sigma and case.rsigma
  Thank you 
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