[Wien] atomic positions

taiiebeh molarooy taiiebehm at yahoo.com
Thu Oct 11 09:41:00 CEST 2007


          Dear Wien2k users, 
  Hi,
  for a polymer Is it true that in StructGen I set only atomic positions of monomer of it and do calculation for monomer?
   The input file requires the lattice constants and the atomic positions. How can I set up the geometry using only the lattice parameters, spacegroup number and Wyckoff coordinates? 
  Is there an auxiliary program or a software  to generate atomic positions ? 
  Thank you very much in advance.
  Best Wishes,
                                                                                                        
  


  



       
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