Hello everyone, Does anyone know how to compute the site energy based on Thole model using 2D slab geometry? I think it's implemented in VOTCA based on this article: https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00599
But I don't know which option I should specify in the input. Thanks in advance for the reply! Kun-Han -- 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 post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
