Hello
I want simulate a multicomponent system: Silicon-Germanium crystal.
How to define two different lattice constants, since lattice constant for Si is 5.43 and that of Ge is 5.66.
I am using Tersoff(T3) potential for this multicomponent system
Regards
APC
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Hello
I want simulate a multicomponent system: Silicon-Germanium crystal.
How to define two different lattice constants, since lattice constant for Si is 5.43 and that of Ge is 5.66.
I am using Tersoff(T3) potential for this multicomponent system
you can use the lattice command multiple times.
however, you have to keep in mind that the simulation box will be
defined in the terms of the first lattice, so you have to make sure
that if you want to create a periodic objects, they are commensurate.
cheers,
axel.