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Dear All,

For large supercell, I use single k-point.

To have all energy values on the same level of accuracy for formation energy and cohesive energy calculations.
Can I use converged parameters (Encut, K-point, ..) for the sub-systems? or have to be done on single k-point?

Many thanks in advance,
Best regards,
Ibrahim

Dear ALl,

For large supercell, I use single k-point.

To have all energy values on the same level of accuracy for formation energy and cohesive energy calculations.
Should I use converged parameters (Encut, K-point, ..) for the sub-systems? or have to be done on single k-point and the same Encut?

I appreciate your recommendation, in advance.

Best regards,
Ibrahim

What's the "sub system"?

You should consider how the errors in your energies due to finite sampling and cutoffs etc propagate through your cohesive energy calculation.