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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