GW bands
Posted: Wed Mar 30, 2016 6:48 pm
Hi,
I'm performing GW calculation on Silicon (I'm just little modifying the ABINIT tutorial input). I wanted to know if it is possible to recover band structure along a certain path WITH GW CORRECTION. I'm new user, so I don't really know how to do. I've seen that GW points where to calculate corrections are inserted by hand, but I was wondering if there was a way to tell a path. Moreover, GW correction must be done on SCF k-points. So, how to get a band structure?
Thanks,
Francesco
I'm performing GW calculation on Silicon (I'm just little modifying the ABINIT tutorial input). I wanted to know if it is possible to recover band structure along a certain path WITH GW CORRECTION. I'm new user, so I don't really know how to do. I've seen that GW points where to calculate corrections are inserted by hand, but I was wondering if there was a way to tell a path. Moreover, GW correction must be done on SCF k-points. So, how to get a band structure?
Thanks,
Francesco