[Pw_forum] TiO2 nanotube builder?

Amin Torabi mtorabi at uwo.ca
Tue Mar 17 22:44:39 CET 2015


Let's say I know the xyz coordinates of the atoms in bulk anatase TiO2, and
I want to roll a sheet of it into a nanotube. How do I find the xyz
coordinates of the nanotube?

Can someone guide me through this?

Thanks!

-- 
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Amin Torabi
Ph.D. Candidate
Department of Chemistry
University of Western Ontario
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