From NWChem
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7:21:54 AM PDT - Tue, Oct 9th 2012 |
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It looks like the Aug. 27, 2012 development source has the f electron density included. "task pspw energy" with the "dos mulliken efield" options outputs the .mulliken_dos_alpha_* files. "task band structure" and "task band dos" are still running, but I expect they'll be okay if it's fixed in PSPW. Thanks a lot.
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