I have tried to calculation Cs2AgBiBr6 double perovskites. This compound has a cubic symmetry and 40 atoms in unit cell.
I desired to ask;
1- 'nat'parameter is equal to 10 or 40 in scf file. which one?
The total number of atoms in Cs2AgBiBr6 is 10. But this compounds has 40 atoms in unit cell.
Best