When calculating minimum images DL_POLY_2 checks that the periodic
boundary of the simulation cell is compatible with the specifed
minimum image algorithm. Program termination results if an
inconsistency is found. In this case the error refers to the hexagonal
prism minimum image, which is inconsistent with the simulation
cell. The most probable cause is the incorrect definition of the
simulation cell vectors present in the input file CONFIG, these must
equal the vectors of the enscribing orthorhombic cell.
Action:
Check the specified simulation cell vectors and correct accordingly.