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Add a constant (i.e. density-independent) potential provided from a file to the scf calculation. Multiple potentials can be added, i.e. the subcommand may be present more than once.

This command can appear in the global context.



Add an energy contribution to the total SCF energy.

  • The type is quantity
  • The default is 0.0 au

Prefactor for the applied potential.

  • The type is real
  • The default is 1.0

The potential is read from a file with this name. It must be in a format supported by armadillo cubes. The number of rows and columns must match the basis in which the calculation is performed. The number of slices must be either 1 (the same potential will be applied to all channels) or match the number of channels.

This option is mandatory.

  • The type is string
  • There is no default value.