oct-tdtdm

Name SupercellDimensions
Section Utilities::oct-tdtdm
Type block
Default KPointsGrid

This block allows to specify the size of the supercell used to plot excitonic wavefunctions. If not specified, the code uses the number of k-points for defining the size of the supercell.

Name TDTDMFrequencies
Section Utilities::oct-tdtdm
Type block

This block defines for which frequencies the analysis is performed.

Each row of the block indicates a frequency.

Name TDTDMHoleCoordinates
Section Utilities::oct-tdtdm
Type float

The position of the hole used to compute the TDTDM, in Cartesian coordinates. Note that the code will use the closest grid point.

The coordinates of the hole are specified in the following way %TDTDMHoleCoordinates
  hole_x | hole_y | hole_z
%

If TDTDMHoleCoordinates or TDTDMHoleReducedCoordinates are not specified, the code will use the coordinate of the first atom in the cell.

Name TDTDMHoleReducedCoordinates
Section Utilities::oct-tdtdm
Type float

Same as TDTDMHoleCoordinates, except that coordinates are given in reduced coordinates