[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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