KSD

Note

Compatible Engines: GPAW, Octopus

The Workflow for the Kohn Sham Decomposition (KSD) is as follows:

1. Start the workflow with ground state calculation. See Ground State.

2. After the ground state calculation is done, proceed to RT-TDDFT calculation. See RT-TDDFT

3. After RT-TDDFT calculation is done, proceed to compute spectrum. See Compute Spectrum.

4. After spectrum is computed, proceed to compute KSD. See Compute KSD

Compute KSD

Note

Compatible Engines: GPAW, Octopus

To perform Kohn Sham Decomposition (KSD), the following parameters are used:

1. List of frequencies (eV): Input excitation energies (eV) to be targeted. For each frequency the KSD is performed and plotted seperately.

2. Axis limit: Higher limit of both X-axis (occupied energy) and Y-axis (unoccupied energy) for plotting. The origin is set as (0,0).