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TDPolarization

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TDPolarization

Section Time-Dependent::Response::Dipole
Type block

The (real) polarization of the delta electric field. Normally one needs three perpendicular polarization directions to calculate a spectrum (unless symmetry is used). The format of the block is:

%TDPolarization
  pol1x | pol1y | pol1z
  pol2x | pol2y | pol2z
  pol3x | pol3y | pol3z
%

Octopus uses both this block and the variable TDPolarizationDirection to determine the polarization vector for the run. For example, if TDPolarizationDirection=2 the polarization (pol2x, pol2y, pol2z) would be used. These directions may not be in periodic directions.

The default value for TDPolarization is the three Cartesian unit vectors (1,0,0), (0,1,0), and (0,0,1).

Note that the directions do not necessarily need to be perpendicular when symmetries are used.

WARNING: If you want to obtain the cross-section tensor, the TDPolarization block must be exactly the same for the run in each direction. The direction must be selected by the TDPolarizationDirection variable.



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