Dear All, I have a general question about charge mobility modeling.
I need to do charge transport mobility (holes) calculations for an organic molecular system. Would that be possible with the VOTCA-XTP? (I know that votca-ctp was the original charge transport code but I am interested in internal DFT capability of XTP.) If so, is the workflow would be similar to QMMM + KMC tutorials (https://www.votca.org/xtp-tutorials/QMMM_GROMACS.html) with the hole couplings? Are there any caveats? Thank you very much! Sue -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/afda6082-c7a7-43bb-877e-7a9bdf6f4615n%40googlegroups.com.
