[Wien] Can't plot the bandstructure

Chur Allen anin1996 at hotmail.com
Mon Apr 11 18:36:12 CEST 2005


Dear wien2k users:

   After a SCF of a SO calculation, I ran the command:
  x lapw1 -band ,  x lapwso ,   x spaghetti -so
  however, finally i cant get the plot of bandstructure.
  This is a supercell with 64 atoms,(2x2x2 supercell, 10 Inequivalent Atoms, 
Pm3m 221) , I can get the right plot in only 1 unit cell (8 atoms, Fm3m, 
225) with the same commands.There is no -c option in the dayfile.  I try to 
use -c but i have to add the case.in1c file by hand first, so i suppose it 
seems i dont need the -c option. What's wrong with this calculation ? Any 
suggestions?Thanks very much!

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