[Wien] abit dstart
    Ma Chi Chiu 
    martin at yangtze.hku.hk
       
    Mon Aug 11 17:18:38 CEST 2003
    
    
  
Dear all,
I am trying to calculate the bandstructure of my molecule. However, the 
program stops in dstart with the below error message:
 'ROTDEF' - no symmetry operation found.
 'ROTDEF' - for jatom, index 1 3
 'ROTDEF' - atomposition of jatom   0.6843476   0.4608157   0.2557014
 'ROTDEF' - atomposition of index   0.5942330   0.6632163   0.2557014
Where is the problem? My molecule has 180 atoms in unit cell (Primitive 
cell with a=b=38;c=64 bohr) and 22 inequivalent atoms.
Thenk you bery much
Martin
    
    
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