The code projwfc.x calculates projections of wavefunctions
over atomic orbitals. The atomic wavefunctions are those contained
in the pseudopotential file(s). The Löwdin population analysis (similar to
Mulliken analysis) is presently implemented. The projected DOS (or PDOS:
the DOS projected onto atomic orbitals) can also be calculated and written
to file(s). More details on the input data are found in file
Doc/INPUT_PROJWFC.*. The ordering of the various
angular momentum components (defined in routine flib/ylmr2.f90)
is as follows:
P0, 0(t),
P1, 0(t),
P1, 1(t)cos,
P1, 1(t)sin
,
P2, 0(t),
P2, 1(t)cos
,
P2, 1(t)sin
,
P2, 2(t)cos2
,
P2, 2(t)sin2
and so on, where Pl, m=Legendre Polynomials,
t = cos
= z/r,
= atan(y/x).
The total electronic DOS is instead calculated by code dos.x. See Example 08 for total and projected electronic DOS calculations.