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.