The CASINO forum

Suppose we are using ewald potential to calculate an electron-hole fluid bilayer system, or using 1/r potential to calculate isolated 2 electron 2 hole bilayer system, how can I calculate or extract the exchange energy of the system from CASINO calculations? I noticed that in the first case CASINO w...

How is the open boundary condition in CASINO being set specifically? For example, if I want to simulate a single exciton or trion (not fluid phase) in a bilayer system, how is the open boundary condition being formulated? Another related question: for single exciton or trion system in open boundary ...

How is the open boundary condition in CASINO being set specifically? For example, if I want to simulate a single exciton or trion (not fluid phase) in a bilayer system, how is the open boundary condition being formulated? Another related question: for single exciton or trion system in open boundary ...