LDOS

    Useful
    emin emax eimag

To obtain the $\ell $DOS you need only run the pot module first to produce the file `pot.bin' . The calculations are made in a separate program, which will run as long as the LDOS card appears in `feff.inp'.

The angular momentum projected density of states is placed by default on a standard grid currently fixed at 84 points. emin and emax are the minimum and maximum energies of the $\ell $DOS calculation and eimag is the imaginary part of potential used in the calculations. This is equivalent to Lorentzian broadening of the $\ell $DOS with half-width = eimag. If eimag is negative, the code automatically sets it to be 1/3 of the energy step. The output will be written in `ldosNN.dat' files. If 84 points are not enough, you can divide the energy range by 2 and run the code twice. The LDOS card is very useful when examining densities of states for interpreting XANES or when the self-consistency loop fails or gives very strange results. For crystals our $\ell $DOS will always be broadened due to the effect of finite cluster size.

  *     emin emax eimag
  LDOS  -20  20   0.2