As can be seen, convergence is reached already for low energies.
Obviously, an energy cut-off of \unit[300]{eV}, although the minimum acceptable, is sufficient for the plane-wave expansion.
\subsection{Potential and exchange-correlation functional}
To find the most suitable combination of potential and XC functional for the C/Si system a $2\times2\times2$ supercell of type 3 of Si and C, both in the diamond structure, as well as 3C-SiC is equilibrated for different combinations of the available potentials and XC functionals.
As can be seen, convergence is reached already for low energies.
Obviously, an energy cut-off of \unit[300]{eV}, although the minimum acceptable, is sufficient for the plane-wave expansion.
\subsection{Potential and exchange-correlation functional}
To find the most suitable combination of potential and XC functional for the C/Si system a $2\times2\times2$ supercell of type 3 of Si and C, both in the diamond structure, as well as 3C-SiC is equilibrated for different combinations of the available potentials and XC functionals.