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! -- ********************************** Amin Torabi Ph.D. Candidate Department of Chemistry University of Western Ontario **********************************
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
