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Broadness of lDOS plot



Hi there,

I have recently started running lDOS calculations on a simple rock salt system, TiN. When I plot the rhocNN.dat data, I find myself with a plot similar in general shape to experimental data but lacking in any fine structure. I have reduced Eimag (resolution) to zero to avoid any broadening from that card, but it has not made a difference. I've also ran the calculation over a very short energy range to add more points to the plot, and that also has not given me any more detail.

Am I missing something obvious? I am a relative starter with feff 8.1, so I may well be missing something obvious.

Thanks for your help in advance,

David Eustace