Hi Everyone,

I am a newbie to VASP code. I am studing the effect of vacancy or doping of non-metal atom in two-dimensional nano sheets. Before adding vacancy or impurity, prisitine nano sheet has been relaxed followed by phonon dispersion calculations as these interactions play an important role in the study of solid state materials.

However, Now I am confused:

1. Do I also need to perform phonon dispersion calculations for defected sheets?

2. If yes, then how to generate a supercell of defected sheets using phonopy code?

Thanks in advance,

Surinder