The script provided by Nordland is technically correct, but it is not an officially released part of ATK. Moreover, it only represents one possible way of defining the PDOS, and this particular method for limiting the trace can, as it seems, give negative contributions for individual atoms. Anyone that uses unofficial scripts it must exercise due caution and verify the results the best way possible. Actually, this goes for all results from any software package. ATK should never be used as a black box; all results obtained must be verified against each other for internal consistency and checked for physical soundness.
In the upcoming summer release, which is a replacement for both 2010.02 and 2008.10, the PDOS has been implemented has part of the core functionality in ATK.
