quantum-espresso/examples/example08

This example shows how to use pw.x and dos.x to calculate the 
Density of States (DOS) of Ni .

The calculation proceeds as follows (for the meaning of the cited input
variables see the appropriate INPUT_* file)

1) make a self-consistent calculation for Ni (like in example 1).
   (input=ni.scf.in, output=ni.scf.out)

2) make a band structure calculation for Ni (input=ni.dos.in,
   output=ni.dos.out) on a uniform k-point grid (automatically
   generated). In this example the Fermi level is calculated with the
   tetrahedra method (not in the actual band structure calculation but in
   the subsequent DOS calculation). If preferred, a gaussian broadening
   may be specified in this or in the subsequent step.

3) the program dos.x reads file filpun (ni.pun) and calculates the DOS on a
   uniform grid of energies from Emin to Emax, with grid step Delta E.
   The output DOS is in file ni.dos, ready for plotting.

4) the program projfwc.x projects the crystal wavefunctions on an
   orthogonalized basis set of atomic orbitals, calculates the Loewdin
   charges, spilling parameter, and the projected DOS (total DOS in file
   'ni.pdos_tot', s and d component in files 'ni.pdos_atm#1(Ni)_wfc#1(s)'
   and 'ni.pdos_atm#1(Ni)_wfc#2(d)' respectively).  (input=ni.pdos.in,
   output=ni.pdos.in)