4.8 WHAT='SCF_DOS'

With this option the code makes a self-consistent calculation followed by a band structure calculation on a uniform mesh of k-points and computes and plots the electronic density of states.
There is no image parallelization and no advantage to use several images.
This option is controlled by the following variables:

 
deltae        : energy interval for electron dos plot (in Ry).
                Default: real 0.01 Ry.
ndose         : number of energy points in the dos plot.
                Default: determined from previous data
nk1_d, nk2_d, nk3_d : thick mesh for dos calculation.
                Default: integer 16, 16, 16
k1_d, k2_d, k3_d : the shift of the k point mesh
                Default: integer 1, 1, 1
sigmae         : the smearing used for dos calculation (in eV).
                If 0.0 uses the degauss of the electronic 
                structure calculation in metals and 0.01 Ry 
                in insulators.
                Default: real 0.0 
legauss        : When .TRUE. computes the electronic dos using 
                a gaussian smearing. When .false. uses the same 
                smearing of the electronic structure calculation 
                in metals or gaussian smearing in insulators.
                Default: logical .false.
fleldos        : name of the file that contains the electron dos 
                data
                Default: character output_eldos.dat
flpseldos      : name of the postscript file that contains the 
                electron dos picture
                Default: character output_eldos
fleltherm      : name of the file that contains the electron 
                thermodynamic data 
                Default: character output_eltherm.dat
flpseltherm    : name of the postscript file that contains the 
                picture of the electron thermodynamic quantities
                Default: character 'output_eltherm'

The minimum and maximum energy, as well as the number of bands, are specified as with the option what='scf_bands'. However with the present option no energy shift is applied to the bands and the minimum and maximum energies refer to the unshifted eigenvalues. Note that after a calculation with what='scf_dos' you can run the tool code epsilon_tpw.x to evaluate the frequency dependent dielectric constant (for insulators only).
With this option, in the metallic case, the code computes the electronic thermodynamic quantities of a gas of independent electrons whose energy levels give the calculated density of states and produces a postscript file with the electronic excitation energy, free energy, entropy, and constant strain heat capacity as a function of temperature. The zero of the electronic energy is the energy at the smallest temperature required in input when it is lower than 4 K or 4 K.

Number of tasks for this option: 1.