Thumb rule-reg

[GJK]

Is there any thumb rule in ATK ,especially for graphene nanoribbon for fixing the number of k-points along x,y,z when reacting with  different molecules chosen from the database.

Regards
Janani.K

[zh]

For such cases, please do the test calculations by oneself. They are not heavy calculations. 

[Anders Blom]

If it's a ribbon you only need 1x1 in the X and Y directions (provided the ribbon is along Z). For Z you need to check the convergence, but for a device, just use 100 in the electrode, it's very fast, and then the device doesn't really use kC points.