[Wien] (no subject)

[abeer esmat]

Dear wien users
   
  i have problem with this file
  i can not draw spin density map with any compounds.
   
  i need to known how to determine line1,line2,line3 and line4 with any compound
  in order to plot the spin density map?
  are there any resources learning how to plot origin x,y,z,x-end,y-end and x,y,z nshells?
   
  I will appreciate your comments and advice

   regards
  abeer esmat

   
   
  ---------------- top of file: case.inc --------------------
0 0 0 1           # origin of plot: x,y,z,denominator
1 1 0 1           # x-end of plot
0 0 1 2           # y-end of plot
3 3 3             # x,y,z nshells (of unit cells)
100 100           # nx,ny
RHO               # RHO/DIFF/OVER; ADD/SUB or blank
ANG VAL NODEBUG   # ANG/ATU, VAL/TOT, DEBUG/NODEBUG
NONORTHO          # optional line: ORTHO|NONORTHO
------------------- bottom of file ------------------------

       
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