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To compute the density of states, a self-consistent calculation has to
be done first to get the wave functions. To generate a DOS, add to the
output_flags either dos or angdos. This will produce a
file ``DOS'' in a suitable format for xmgr (it is an ascii text file,
and has comments in there). A tetrahedron interpolation scheme is
used, where each of the Monkhorst-Pack grid cells is divided into six
tetrahedra. If you compute the angular momentum resolved DOS, you must
also specify the radius of the muffin-tin spheres (see section
The density of states is output in units of states/eV/unit cell. It does
not count both spin states.
2.1).
Jonathan Yates
2001-05-10