The k-point parallelized codes can certainly provide more efficient use of computation cycles as it can be demonstrated in tests cases ()-(
) and application
. There are also other cases, where either the original code does not scale at all to larger number of cores -see test cases (
),(
) , or the original code does not even work on large number of cores (see test case (
)) or exterior limitations such as the 12 hour queue on HECToR in application (
) do not allow large simulations. In all these cases we demonstrated the calculations could be achieved with the k-point parallelized code.