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
plot 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 electron energy is the energy at the smallest temperature
required in input when it is lower than
4
Number of tasks for this option: 1.