[DFTB-Plus-User] Formation and breaking process of Zno nanowires question
David L. Azevedo
david888 at uol.com.br
Sat Nov 21 12:15:39 CET 2009
I would like to know how to simulate monoatomic chain and
breaking process using dftb+.
How to consider an external constant force acting on monoatomic chain in
I read the abstract of ACCMS-5 where they simulated a monatomic chain
formation and breaking process of Zno nanowires: Molecular Dynamics
Simulations. (Ya-Pu Zhao, Bin-Bin Wang)
The recipe or an input example would be very elucidative.
Thanks in advance,
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