CMBJ = [real (array)]
Default: CMBJ = calculated self-consistently
Description: defines the parameter in the MBJ potential.
The CMBJ tag can be set in the following ways:
- Specify a constant that is used at every point of space
CMBJ = c
- Specify one entry per atomic type
CMBJ = c_1 c_2 .. c_nwhere the order and number is in accordance with atomic types in your POSCAR file. The MBJ exchange potential at a point will then be calculated using the parameter belonging to the atomic species of the atomic site nearest to .