AtomsMagnetDirection
AtomsMagnetDirection
Section SCF::LCAO
Type block
This option is only used when GuessMagnetDensity is
set to user_defined. It provides a direction for the
magnetization vector of each atom when building the guess
density. In order to do that, the user should specify the
coordinates of a vector that has the desired direction and
norm. Note that it is necessary to maintain the ordering in
which the species were defined in the coordinates
specifications.
For spin-polarized calculations, the vectors should have only
one component; for non-collinear-spin calculations, they
should have three components. If the norm of the vector is greater
than the number of valence electrons in the atom, it will be rescaled
to this number, which is the maximum possible magnetization.