radtools.DOSQE.case#

property

property DOSQE.case#

Detects case of the DOS calculations.

Detects the case when called for the first time.

There are 4 cases:

  1. Collinear

  2. Collinear, spin-polarized

  3. Non-collinear, non-spin-orbit

  4. Non-collinear, spin-orbit

Headers of "seedname".pdos_tot according to the projwfc.x:

  • Collinear:

    E DOS(E) PDOS(E)

  • Collinear, spin-polarized:

    E DOSup(E) DOSdw(E) PDOSup(E) PDOSdw(E)

  • Non-collinear, non-spin-orbit:

    E DOS(E) PDOSup(E) PDOSdw(E)

  • Non-collinear, spin-orbit:

    E DOS(E) PDOS(E)