LDOutput
LDOutput
Section Utilities::oct-local_multipoles
Type flag
Default multipoles
Defines what should be output during the local domains
simulation. Many of the options can increase the computational
cost of the simulation, so only use the ones that you need. In
most cases the default value is enough, as it is adapted to the
details.
Options:
- multipoles:
Outputs the (electric) multipole moments of the density to the file ld.general/multipoles.
This is required to, e.g., calculate optical absorption spectra of finite systems. The
maximum value of $l$ can be set with the variable LDMultipoleLmax.
- density:
If set, octopus outputs the densities corresponding to the local domains to
the folder ld.general/densities.
The output format is set by the LDOutputFormat input variable.
- local_v:
If set, octopus outputs the different components of the potential
to the folder ld.general/potential.
The output format is set by the LDOutputFormat input variable.
- energy:
If set, octopus outputs the different components of the energy of the local domains
to the folder ld.general/energy.