[Wien] clmval

John Appleton banger_deep at yahoo.com
Sat Oct 21 17:59:53 CEST 2006


Dear WIEN USER,
  I wish to compute clmval for a single atom 
  but at a specific position in a cell. However, 
  I always get a warning indicating that the 
  the atom should be shifted to the origin during 
  initialization. If I ignore the warnings, i get the 
  following error at x dstart: ROTDEF - Error
  How do I circumvent this problem?
   
  Thanks
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