RT-TDFFT with a circularly polarized field

[Carles]

Dear all,

I need to perform rt-tddft simulations exciting the system with a circularly polarized field. Is it possible to set the phase of a field (CEP) in the field-block of rt_tddft?

Thanks a lot!

Carles

[Niri Govind]

Dear Carles,

The code will have to be extended to cover this. In addition, there are other extensions that will need to be implemented like giao support within the rt-tddft code.

Best regards,

Niri

Niri Govind

PNNL

niri....@pnnl.gov 

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[Carles]

Dear Niri,

Thanks a lot for your support. I also find that I would need a kind of "tstep" in the visualization block, because I can only make the cube files during propagation at each time step, and for a small time step and a large propagation this is not convenient. Or I am missing some way to do it?

Best regards,

Carles

----------------------------------

visualization

  tstart         0.0         # start visualization at this time

#  tstep? <-------------------------------

  tend           0.06       # stop visualization at this time

  treference 0.0         # subtract density matrix at this time (useful for difference densities)

  dplot                         # post-process density matrices into cube files after propagation

end

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El dia divendres, 19 de març de 2021 a les 15:32:22 UTC+1, niri....@gmail.com va escriure: