Pump-probe

Note

Compatible Engines: GPAW, NWChem, Octopus

pp_workflow

The Workflow for the Pump-Probe 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 for spectrum calculation. See Delta kick Inputs.

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

laser_init_pp

External fields: For Pump-Probe calculations, choose the parameters for External fields as Electric Field (Type of fields) and Pump-Probe (Type of Experiment). For each Pump-Probe input Delay time list in fs separated by space. After that, proceed to Design/Edit Laser. For laser design, see Laser design.

Click on Restart Option, if applicable. Posible options include: increasing number of simulation steps.

Note

All the input parameters will be collected to generate input if Restart Option is chosen. Make sure to change ONLY the relevant parameters such as: Number of Steps. Any modification of External Fields (Laser Design Parameters) should be avoided. For Pump-Probe workflow, all RT-TDDFT simulations should run for same duration.

4. Run all the RT-TDDFT simulations. The first simulation uses only pump. After that, perform each simulation for each pump-probe pair, consecutively.

5. For post processing and and visualization of TAS, see Compute TAS.