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.
To exclude a possibly corrupting influence of the other parameters highly accurate calculations are performed, i.e. an energy cut-off of \unit[650]{eV} and a $6\times6\times6$ Monkhorst-Pack $k$-point mesh is used.
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.
To exclude a possibly corrupting influence of the other parameters highly accurate calculations are performed, i.e. an energy cut-off of \unit[650]{eV} and a $6\times6\times6$ Monkhorst-Pack $k$-point mesh is used.