[Wien] ROTDEF - Error

bayarr temuujin fox_temuujin at yahoo.com
Wed Apr 1 09:10:06 CEST 2015


Hello Wien2k users,
I am trying to calculate thin film supercell but i ran into dstart problem. The problem: 
Error in DSTART
 'ROTDEF' - no symmetry operation found.
 'ROTDEF' - for jatom, index   1   2                                           
 'ROTDEF' - atomposition of jatom   0.0000000   0.2500000   0.0731879          
 'ROTDEF' - atomposition of index   0.0000000   0.7500000   0.0104554 

I am attaching structure file. In my opinion structure seems good and x symmetry showed no error but here it says no symmetry operation found. 
I hope i will get positive answers 
 Temuujin Bayaraa
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