NonLinearOptics code overview
This code is intended to be run after a full GW/BSE calculation and generates the UltraFast or 2-photon spectrum of a material by calculating the optical transition strength between the lowest excited exciton state (user inputed) and higher excited exciton states.
NonLinearOptics ode should be considered alpha quality. It has been
tested on only a few systems. Use at your own risk and validate and, if
necessary, contact the developers.
Required input files
nonlinearoptics.inp: Input parameters.
eigenvectors: The exciton wavefunctions in Bloch space.
WFN_fi: Bloch wavefunctions on the unshifted fine grid.
WFNq_fi: Bloch wavefunctions on the shifted fine grid. Only needed if velocity operator is used.
The files are output files from previous runs - used as input to speed up calculation
vmtxel_nl: The interband optical matrix elements. This is different from the file
vmtxelcreated by absorption in that it contains valence-valence and conduction-conduction matrix elements. Specify
nonlinearoptics.inpfile and files
WFNq_fiare not needed.