k-resolved carriers/population

[csk]

Dear all!

Is there a possibility to extract the carriers resolved in the BZ for the real-time propagation of the density matrix in transition space? Something like in the inset of Fig. 10 (b) of https://doi.org/10.1021/acs.nanolett.8b02774?

Thanks in advance!
Christian

[csk]

Hi!

In case someone else is looking for a solution, I found a convenient way using the "mppi" python module, as described here:
https://mppi.readthedocs.io/en/latest/y ... arser.html

If someone knows a solution using the yambo/ypp/yambopy toolchain, I would be still interested, but so far the above works fine for me.

Cheers,
Christian

[Davide Sangalli]

With ypp_rt there are different options for plotting and analyzing the carriers database.

Code: Select all

ndb.RT_carriers 

In this tutorial you can find an example (see input_ypp2)
https://wiki.yambo-code.eu/wiki/index.p ... m_carriers

You can play with rtmode. For example the "(t)ime" mode will give an output for eack k-point

Best,
D.